
 SCHEMBL15774525

 58 62  0  0  0  0  0  0  0  0999 V2000
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   13.3910    7.2359   -1.1340 O   0  0  0  0  0
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    3.6346    3.1436   -0.9249 H   0  0  0  0  0
   10.3136    1.0738   -1.1949 H   0  0  0  0  0
    8.7090    0.6315   -0.6553 H   0  0  0  0  0
   11.1527    0.9382    1.2669 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL15774525

>  <PubChem CID>
76283693

>  <Formula>
C27H26N4O

>  <Molecular Weight>
422.532000

>  <IUPAC Name>
2-(9-ethylcarbazol-3-yl)-N,N-dimethyl-1-prop-2-enylbenzimidazole-5-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3CC=C)C=CC(=C4)C(=O)N(C)C)C5=CC=CC=C51

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3CC=C)C=CC(=C4)C(=O)N(C)C)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C27H26N4O/c1-5-15-31-25-14-12-19(27(32)29(3)4)17-22(25)28-26(31)18-11-13-24-21(16-18)20-9-7-8-10-23(20)30(24)6-2/h5,7-14,16-17H,1,6,15H2,2-4H3

>  <InChI Key>
BNIRHFUOOBNKLR-UHFFFAOYSA-N

