phenyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate

Systemtic Name: phenyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Openeye Name: phenyl 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylic acid phenyl ester Formula: C24H21ClN4O2 MolecularWeight: 432.90214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C24H21ClN4O2/c25-17-10-11-21-22(16-17)27-23(19-8-4-5-9-20(19)26-21)28-12-14-29(15-13-28)24(30)31-18-6-2-1-3-7-18/h1-11,16,27H,12-15H2