
 VERAPAMIL

 71 72  0  0  0  0  0  0  0  0999 V2000
    2.1565    4.0501    1.2305 C   0  0  0  0  0
    2.3545    2.5252    1.3086 C   0  0  0  0  0
    0.9757    1.8874    1.5578 C   0  0  0  0  0
    3.1489    1.9115    0.0755 C   0  0  0  0  0
    2.4247    2.2315   -1.2799 C   0  0  0  0  0
    3.1420    1.7127   -2.5462 C   0  0  0  0  0
    2.2630    1.9024   -3.7939 C   0  0  0  0  0
    2.8805    1.4255   -5.0512 N   0  0  0  0  0
    3.0981   -0.0261   -5.0200 C   0  0  0  0  0
    2.0024    1.8063   -6.1844 C   0  0  0  0  0
    2.5626    1.4846   -7.5833 C   0  0  0  0  0
    1.6007    1.9078   -8.6717 C   0  0  0  0  0
    1.8086    3.0920   -9.3933 C   0  0  0  0  0
    0.9004    3.4966  -10.3805 C   0  0  0  0  0
   -0.2275    2.7001  -10.6562 C   0  0  0  0  0
   -0.4274    1.5127   -9.9467 C   0  0  0  0  0
    0.4772    1.1234   -8.9576 C   0  0  0  0  0
   -1.0602    3.1373  -11.6573 O   0  0  0  0  0
   -2.4129    2.7077  -11.5839 C   0  0  0  0  0
    1.0219    4.6459  -11.1220 O   0  0  0  0  0
    2.0058    5.5852  -10.7142 C   0  0  0  0  0
    4.4926    2.5852    0.0145 C   0  0  0  0  0
    5.5201    3.1143   -0.0150 N   0  0  0  0  0
    3.3323    0.3922    0.3417 C   0  0  0  0  0
    2.4822   -0.5764   -0.2190 C   0  0  0  0  0
    2.6313   -1.9414    0.0634 C   0  0  0  0  0
    3.6574   -2.3913    0.9040 C   0  0  0  0  0
    4.5022   -1.4410    1.4797 C   0  0  0  0  0
    4.3332   -0.0736    1.2150 C   0  0  0  0  0
    3.7780   -3.7435    1.0818 O   0  0  0  0  0
    4.6505   -4.1890    2.1129 C   0  0  0  0  0
    1.7370   -2.7564   -0.5844 O   0  0  0  0  0
    1.0551   -3.6590    0.2836 C   0  0  0  0  0
    3.1030    4.5802    1.0930 H   0  0  0  0  0
    1.7161    4.4225    2.1628 H   0  0  0  0  0
    1.4795    4.3317    0.4182 H   0  0  0  0  0
    2.9496    2.3415    2.2158 H   0  0  0  0  0
    0.3036    2.0201    0.7049 H   0  0  0  0  0
    0.4936    2.3480    2.4281 H   0  0  0  0  0
    1.0522    0.8190    1.7771 H   0  0  0  0  0
    2.3205    3.3180   -1.3967 H   0  0  0  0  0
    1.4023    1.8364   -1.2645 H   0  0  0  0  0
    3.3866    0.6573   -2.4180 H   0  0  0  0  0
    4.0885    2.2471   -2.6876 H   0  0  0  0  0
    2.0629    2.9782   -3.8857 H   0  0  0  0  0
    1.2937    1.4101   -3.6387 H   0  0  0  0  0
    3.7818   -0.3146   -4.2168 H   0  0  0  0  0
    3.5893   -0.3763   -5.9324 H   0  0  0  0  0
    2.1605   -0.5792   -4.8951 H   0  0  0  0  0
    1.8372    2.8921   -6.1447 H   0  0  0  0  0
    1.0158    1.3384   -6.0635 H   0  0  0  0  0
    2.7443    0.4112   -7.7075 H   0  0  0  0  0
    3.5320    1.9791   -7.7226 H   0  0  0  0  0
    2.6922    3.6820   -9.1713 H   0  0  0  0  0
   -1.2701    0.8620  -10.1533 H   0  0  0  0  0
    0.3029    0.1959   -8.4158 H   0  0  0  0  0
   -2.9833    3.2746  -12.3260 H   0  0  0  0  0
   -2.8446    2.9170  -10.5991 H   0  0  0  0  0
   -2.5059    1.6474  -11.8382 H   0  0  0  0  0
    3.0116    5.2134  -10.9338 H   0  0  0  0  0
    1.9015    5.8450   -9.6553 H   0  0  0  0  0
    1.8530    6.5009  -11.2934 H   0  0  0  0  0
    1.6655   -0.2989   -0.8802 H   0  0  0  0  0
    5.3202   -1.7260    2.1339 H   0  0  0  0  0
    5.0169    0.6200    1.7044 H   0  0  0  0  0
    4.5433   -5.2749    2.1952 H   0  0  0  0  0
    4.3754   -3.7545    3.0801 H   0  0  0  0  0
    5.6954   -3.9761    1.8656 H   0  0  0  0  0
    0.0025   -3.6724   -0.0160 H   0  0  0  0  0
    1.0927   -3.3659    1.3393 H   0  0  0  0  0
    1.4571   -4.6678    0.1527 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4 24  1  0  0  0
  4 22  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
  9 49  1  0  0  0
 10 11  1  0  0  0
 10 50  1  0  0  0
 10 51  1  0  0  0
 11 12  1  0  0  0
 11 52  1  0  0  0
 11 53  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 54  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 55  1  0  0  0
 17 56  1  0  0  0
 18 19  1  0  0  0
 19 57  1  0  0  0
 19 58  1  0  0  0
 19 59  1  0  0  0
 20 21  1  0  0  0
 21 60  1  0  0  0
 21 61  1  0  0  0
 21 62  1  0  0  0
 22 23  3  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 63  1  0  0  0
 26 27  2  0  0  0
 26 32  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 64  1  0  0  0
 29 65  1  0  0  0
 30 31  1  0  0  0
 31 66  1  0  0  0
 31 67  1  0  0  0
 31 68  1  0  0  0
 32 33  1  0  0  0
 33 69  1  0  0  0
 33 70  1  0  0  0
 33 71  1  0  0  0
M  END

>  <Chemical Name>
VERAPAMIL

>  <PubChem CID>
2520

>  <Formula>
C27H38N2O4

>  <Molecular Weight>
454.611000

>  <IUPAC Name>
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile

>  <XlogP>
3.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

>  <Isomeric SMILES>
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

>  <InChI Std. ID>
InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3

>  <InChI Key>
SGTNSNPWRIOYBX-UHFFFAOYSA-N

