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

Systemtic Name: (phenylmethyl) 2-[4-(aminomethyl)-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoate Openeye Name: benzyl 2-[4-(aminomethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetate CAS Name: 2-[4-(aminomethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(aminomethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetate Traditional Name: 2-[4-(aminomethyl)-7-keto-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid benzyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c23-15-18-11-12-24(20-9-5-2-6-10-20)22(26)19(13-18)14-21(25)27-16-17-7-3-1-4-8-17/h1-10,13,19H,11-12,14-16,23H2