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

Systemtic Name: 2-azanyl-N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-6-methyl-benzamide Openeye Name: 2-amino-N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-6-methyl-benzamide CAS Name: 2-amino-N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-6-methylbenzamide IUPAC Name: 2-amino-N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-6-methylbenzamide Traditional Name: 2-amino-N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-6-methyl-benzamide Formula: C26H27ClN6O MolecularWeight: 474.98518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN6O/c1-17-6-5-8-20(28)24(17)26(34)30-33-22-9-4-3-7-19(22)25(32-14-12-31(2)13-15-32)29-21-16-18(27)10-11-23(21)33/h3-11,16H,12-15,28H2,1-2H3,(H,30,34)