1H-1,2-benzodiazepine; 8-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 1H-1,2-benzodiazepine; 8-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 1H-1,2-benzodiazepine; 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 1H-1,2-benzodiazepine; 8-chloro-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 1H-1,2-benzodiazepine; 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 1H-1,2-benzodiazepine; 8-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzoxazepine Formula: C36H34ClN7O MolecularWeight: 616.15446

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C1=CC=C2C(=C1)C=CC=NN2.C1=CC=C2C(=C1)C=CC=NN2

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C1=CC=C2C(=C1)C=CC=NN2.C1=CC=C2C(=C1)C=CC=NN2

InChI

InChI=1S/C18H18ClN3O.2C9H8N2/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;2*1-2-6-9-8(4-1)5-3-7-10-11-9/h2-7,12H,8-11H2,1H3;2*1-7,11H