methyl (5E)-1-oxidanylidene-2-(phenylmethyl)-5-(phenylmethylidene)-3,4-dihydro-2-benzazepine-3-carboxylate

Systemtic Name: methyl (5E)-1-oxidanylidene-2-(phenylmethyl)-5-(phenylmethylidene)-3,4-dihydro-2-benzazepine-3-carboxylate Openeye Name: methyl (5E)-2-benzyl-5-benzylidene-1-oxo-3,4-dihydro-2-benzazepine-3-carboxylate CAS Name: (5E)-1-oxo-2-(phenylmethyl)-5-(phenylmethylene)-3,4-dihydro-2-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl (5E)-2-benzyl-5-benzylidene-1-oxo-3,4-dihydro-2-benzazepine-3-carboxylate Traditional Name: (5E)-5-benzal-2-benzyl-1-keto-3,4-dihydro-2-benzazepine-3-carboxylic acid methyl ester Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=CC2=CC=CC=C2)C3=CC=CC=C3C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C/C(=C\C2=CC=CC=C2)/C3=CC=CC=C3C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C26H23NO3/c1-30-26(29)24-17-21(16-19-10-4-2-5-11-19)22-14-8-9-15-23(22)25(28)27(24)18-20-12-6-3-7-13-20/h2-16,24H,17-18H2,1H3/b21-16+