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

Systemtic Name: (phenylmethyl) 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C20H21NO2 MolecularWeight: 307.38624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=CC1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(=CC1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c22-20(23-16-17-10-4-1-5-11-17)21-15-9-3-8-14-19(21)18-12-6-2-7-13-18/h1-2,4-7,10-14H,3,8-9,15-16H2