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

Systemtic Name: (phenylmethyl) 7-(2-phenylethanoyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-(2-phenylacetyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(1-oxo-2-phenylethyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(2-phenylacetyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(2-phenylacetyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=CC1)C(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(=CC1)C(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3/c24-21(16-18-10-4-1-5-11-18)20-14-8-3-9-15-23(20)22(25)26-17-19-12-6-2-7-13-19/h1-2,4-7,10-14H,3,8-9,15-17H2