(phenylmethyl) 4-benzo[b][1]benzazepin-11-ylcarbonylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-benzo[b][1]benzazepin-11-ylcarbonylpiperazine-1-carboxylate Openeye Name: benzyl 4-(benzo[b][1]benzazepine-11-carbonyl)piperazine-1-carboxylate CAS Name: 4-[11-benzo[b][1]benzazepinyl(oxo)methyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(benzo[b][1]benzazepine-11-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(benzo[b][1]benzazepine-11-carbonyl)piperazine-1-carboxylic acid benzyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c31-26(28-16-18-29(19-17-28)27(32)33-20-21-8-2-1-3-9-21)30-24-12-6-4-10-22(24)14-15-23-11-5-7-13-25(23)30/h1-15H,16-20H2