(phenylmethyl) 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (phenylmethyl) 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: benzyl 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid benzyl ester Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(N1)C=CC(=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C(N1)C=CC(=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2/c26-23(27-17-18-7-3-1-4-8-18)25-14-13-24-22-12-11-20(15-21(22)16-25)19-9-5-2-6-10-19/h1-12,15,24H,13-14,16-17H2