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

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-methyl-butanamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-methyl-butanamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-3-methylbutanamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-methylbutanamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-3-methyl-butyramide Formula: C23H28ClN5O MolecularWeight: 425.95432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCN(CC4)C

Isomeric SMILES

CC(C)CC(=O)NN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCN(CC4)C

InChI

InChI=1S/C23H28ClN5O/c1-16(2)14-22(30)26-29-20-7-5-4-6-18(20)23(28-12-10-27(3)11-13-28)25-19-15-17(24)8-9-21(19)29/h4-9,15-16H,10-14H2,1-3H3,(H,26,30)