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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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