
 Lopac-G-120

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.9598    0.1207   -0.1946 C   0  0  0  0  0
    2.4829    0.1184   -0.0596 C   0  0  0  0  0
    3.1440   -0.3631   -1.3679 C   0  0  0  0  0
    4.6248   -0.0672   -1.4098 C   0  0  0  0  0
    5.5626   -1.1092   -1.4664 C   0  0  0  0  0
    6.9003   -0.7727   -1.4851 C   0  0  0  0  0
    7.3247    0.5358   -1.4479 C   0  0  0  0  0
    6.4392    1.5892   -1.3963 C   0  0  0  0  0
    5.0718    1.2811   -1.3865 C   0  0  0  0  0
    4.0639    2.3909   -1.3459 C   0  0  0  0  0
    3.0600    2.4401   -0.5090 N   0  0  0  0  0
    2.9696    1.4362    0.3955 N   0  0  0  0  0
    4.1975    3.5100   -2.3322 C   0  0  0  0  0
    3.7821    4.7933   -1.9632 C   0  0  0  0  0
    3.8922    5.8553   -2.8664 C   0  0  0  0  0
    4.3639    5.6430   -4.1638 C   0  0  0  0  0
    4.8209    4.3688   -4.5107 C   0  0  0  0  0
    4.7160    3.2997   -3.6141 C   0  0  0  0  0
    4.5881    6.7285   -5.0184 N   0  0  0  0  0
    8.6807    0.6407   -1.4699 O   0  0  0  0  0
    9.0617   -0.7499   -1.5111 C   0  0  0  0  0
    7.9366   -1.6525   -1.5348 O   0  0  0  0  0
    0.4818    0.3909    0.7531 H   0  0  0  0  0
    0.5972   -0.8732   -0.4766 H   0  0  0  0  0
    0.6248    0.8314   -0.9577 H   0  0  0  0  0
    2.7498   -0.5933    0.7323 H   0  0  0  0  0
    2.6761    0.1095   -2.2418 H   0  0  0  0  0
    2.9693   -1.4406   -1.4810 H   0  0  0  0  0
    5.2597   -2.1506   -1.4873 H   0  0  0  0  0
    6.7973    2.6112   -1.3538 H   0  0  0  0  0
    2.3815    1.7430    1.1740 H   0  0  0  0  0
    3.3886    4.9764   -0.9659 H   0  0  0  0  0
    3.5990    6.8513   -2.5446 H   0  0  0  0  0
    5.2584    4.1941   -5.4903 H   0  0  0  0  0
    5.0422    2.3146   -3.9350 H   0  0  0  0  0
    4.6162    6.4759   -6.0011 H   0  0  0  0  0
    3.9721    7.5168   -4.8445 H   0  0  0  0  0
    9.6665   -0.9209   -2.4091 H   0  0  0  0  0
    9.6721   -0.9731   -0.6285 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 12  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6 22  1  0  0  0
  6  7  2  0  0  0
  7 20  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
M  END

>  <Chemical Name>
Lopac-G-120

>  <PubChem CID>
6603855

>  <Formula>
C17H17N3O2

>  <Molecular Weight>
295.342000

>  <IUPAC Name>
4-[(8R)-8-methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CC2=CC3=C(C=C2C(=NN1)C4=CC=C(C=C4)N)OCO3

>  <Isomeric SMILES>
C[C@@H]1CC2=CC3=C(C=C2C(=NN1)C4=CC=C(C=C4)N)OCO3

>  <InChI Std. ID>
InChI=1S/C17H17N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8,10,19H,6,9,18H2,1H3/t10-/m1/s1

>  <InChI Key>
AQTITSBNGSVQNZ-SNVBAGLBSA-N

