(phenylmethyl) 2-[4-(2-azanyl-2-oxidanylidene-ethyl)-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-azanyl-2-oxidanylidene-ethyl)-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoate Openeye Name: benzyl 2-[4-(2-amino-2-oxo-ethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetate CAS Name: 2-[4-(2-amino-2-oxoethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-amino-2-oxoethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetate Traditional Name: 2-[4-(2-amino-2-keto-ethyl)-7-keto-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid benzyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(C=C1CC(=O)N)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C(C=C1CC(=O)N)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c24-21(26)14-18-11-12-25(20-9-5-2-6-10-20)23(28)19(13-18)15-22(27)29-16-17-7-3-1-4-8-17/h1-10,13,19H,11-12,14-16H2,(H2,24,26)