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

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-phenyl-propanamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-phenyl-propanamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-3-phenylpropanamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-phenylpropanamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-3-phenyl-propionamide Formula: C27H28ClN5O MolecularWeight: 473.99712

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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)CCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H28ClN5O/c1-31-15-17-32(18-16-31)27-22-9-5-6-10-24(22)33(25-13-12-21(28)19-23(25)29-27)30-26(34)14-11-20-7-3-2-4-8-20/h2-10,12-13,19H,11,14-18H2,1H3,(H,30,34)