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

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-methyl-benzamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-methyl-benzamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-3-methylbenzamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-methylbenzamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-3-methyl-benzamide Formula: C26H26ClN5O MolecularWeight: 459.97054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NN2C3=C(C=C(C=C3)Cl)N=C(C4=CC=CC=C42)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NN2C3=C(C=C(C=C3)Cl)N=C(C4=CC=CC=C42)N5CCN(CC5)C

InChI

InChI=1S/C26H26ClN5O/c1-18-6-5-7-19(16-18)26(33)29-32-23-9-4-3-8-21(23)25(31-14-12-30(2)13-15-31)28-22-17-20(27)10-11-24(22)32/h3-11,16-17H,12-15H2,1-2H3,(H,29,33)