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

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-phenyl-thiophene-2-carboxamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-phenyl-thiophene-2-carboxamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-3-phenyl-2-thiophenecarboxamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-phenylthiophene-2-carboxamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-3-phenyl-thiophene-2-carboxamide Formula: C29H26ClN5OS MolecularWeight: 528.06764

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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=C(C=CS5)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)NC(=O)C5=C(C=CS5)C6=CC=CC=C6

InChI

InChI=1S/C29H26ClN5OS/c1-33-14-16-34(17-15-33)28-23-9-5-6-10-25(23)35(26-12-11-21(30)19-24(26)31-28)32-29(36)27-22(13-18-37-27)20-7-3-2-4-8-20/h2-13,18-19H,14-17H2,1H3,(H,32,36)