N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propan-2-imine

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propan-2-imine Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propan-2-imine CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-2-propanimine IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]propan-2-imine Traditional Name: [3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-isopropylidene-amine Formula: C21H24ClN5 MolecularWeight: 381.90176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCN(CC4)C)C

Isomeric SMILES

CC(=NN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCN(CC4)C)C

InChI

InChI=1S/C21H24ClN5/c1-15(2)24-27-19-7-5-4-6-17(19)21(26-12-10-25(3)11-13-26)23-18-14-16(22)8-9-20(18)27/h4-9,14H,10-13H2,1-3H3