1H-1,2-benzodiazepine; 3-chloranyl-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 1H-1,2-benzodiazepine; 3-chloranyl-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Openeye Name: 1H-1,2-benzodiazepine; 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine CAS Name: 1H-1,2-benzodiazepine; 3-chloro-6-(4-methyl-1-piperazinyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 1H-1,2-benzodiazepine; 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Traditional Name: 1H-1,2-benzodiazepine; 3-chloro-6-(4-methylpiperazino)-5H-benzo[b][1,4]benzodiazepine Formula: C36H35ClN8 MolecularWeight: 615.1697

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl.C1=CC=C2C(=C1)C=CC=NN2.C1=CC=C2C(=C1)C=CC=NN2

Isomeric SMILES

CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl.C1=CC=C2C(=C1)C=CC=NN2.C1=CC=C2C(=C1)C=CC=NN2

InChI

InChI=1S/C18H19ClN4.2C9H8N2/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18;2*1-2-6-9-8(4-1)5-3-7-10-11-9/h2-7,12,21H,8-11H2,1H3;2*1-7,11H