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

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-4-cyano-benzamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-4-cyano-benzamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-4-cyanobenzamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-4-cyanobenzamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-4-cyano-benzamide Formula: C26H23ClN6O MolecularWeight: 470.95342

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H23ClN6O/c1-31-12-14-32(15-13-31)25-21-4-2-3-5-23(21)33(24-11-10-20(27)16-22(24)29-25)30-26(34)19-8-6-18(17-28)7-9-19/h2-11,16H,12-15H2,1H3,(H,30,34)