N-[8-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-cyano-benzamide

Systemtic Name: N-[8-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-cyano-benzamide Openeye Name: N-[8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-cyano-benzamide CAS Name: N-[8-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-3-cyanobenzamide IUPAC Name: N-[8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-cyanobenzamide Traditional Name: N-[8-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-3-cyano-benzamide Formula: C26H23ClN6O MolecularWeight: 470.95342

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3N(C4=C2C=C(C=C4)Cl)NC(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3N(C4=C2C=C(C=C4)Cl)NC(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H23ClN6O/c1-31-11-13-32(14-12-31)25-21-16-20(27)9-10-23(21)33(24-8-3-2-7-22(24)29-25)30-26(34)19-6-4-5-18(15-19)17-28/h2-10,15-16H,11-14H2,1H3,(H,30,34)