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

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]cyclohexanecarboxamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]cyclohexanecarboxamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]cyclohexanecarboxamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]cyclohexanecarboxamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]cyclohexanecarboxamide Formula: C25H30ClN5O MolecularWeight: 451.9916

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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)C5CCCCC5

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)N(C4=CC=CC=C42)NC(=O)C5CCCCC5

InChI

InChI=1S/C25H30ClN5O/c1-29-13-15-30(16-14-29)24-20-9-5-6-10-22(20)31(23-12-11-19(26)17-21(23)27-24)28-25(32)18-7-3-2-4-8-18/h5-6,9-12,17-18H,2-4,7-8,13-16H2,1H3,(H,28,32)