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

Systemtic Name: 1-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]tetradecan-1-one Openeye Name: 1-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]tetradecan-1-one CAS Name: 1-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-1-tetradecanone IUPAC Name: 1-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]tetradecan-1-one Traditional Name: 1-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]tetradecan-1-one Formula: C32H45ClN4O MolecularWeight: 537.1789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45ClN4O/c1-3-4-5-6-7-8-9-10-11-12-13-18-31(38)37-29-17-15-14-16-27(29)32(36-23-21-35(2)22-24-36)34-28-25-26(33)19-20-30(28)37/h14-17,19-20,25H,3-13,18,21-24H2,1-2H3