1-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexadecan-1-one

Systemtic Name: 1-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexadecan-1-one Openeye Name: 1-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexadecan-1-one CAS Name: 1-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-1-hexadecanone IUPAC Name: 1-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexadecan-1-one Traditional Name: 1-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]hexadecan-1-one Formula: C34H49ClN4O MolecularWeight: 565.23206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCN(CC4)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCN(CC4)C

InChI

InChI=1S/C34H49ClN4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-33(40)39-31-19-17-16-18-29(31)34(38-25-23-37(2)24-26-38)36-30-27-28(35)21-22-32(30)39/h16-19,21-22,27H,3-15,20,23-26H2,1-2H3