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

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-phenoxy-benzamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-phenoxy-benzamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-2-phenoxybenzamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-phenoxybenzamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-2-phenoxy-benzamide Formula: C31H28ClN5O2 MolecularWeight: 538.03932

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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=CC=CC=C5OC6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)NC(=O)C5=CC=CC=C5OC6=CC=CC=C6

InChI

InChI=1S/C31H28ClN5O2/c1-35-17-19-36(20-18-35)30-24-11-5-7-13-27(24)37(28-16-15-22(32)21-26(28)33-30)34-31(38)25-12-6-8-14-29(25)39-23-9-3-2-4-10-23/h2-16,21H,17-20H2,1H3,(H,34,38)