N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]quinoline-2-carboxamide

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]quinoline-2-carboxamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]quinoline-2-carboxamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-2-quinolinecarboxamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]quinoline-2-carboxamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]quinaldamide Formula: C28H25ClN6O MolecularWeight: 496.9907

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)NC(=O)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)NC(=O)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C28H25ClN6O/c1-33-14-16-34(17-15-33)27-21-7-3-5-9-25(21)35(26-13-11-20(29)18-24(26)31-27)32-28(36)23-12-10-19-6-2-4-8-22(19)30-23/h2-13,18H,14-17H2,1H3,(H,32,36)