(phenylmethyl) N-[1-[(2,4-dimethoxyphenyl)methyl]-7-oxidanylidene-3-phenyl-5,6-dihydro-2H-azepin-6-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(2,4-dimethoxyphenyl)methyl]-7-oxidanylidene-3-phenyl-5,6-dihydro-2H-azepin-6-yl]carbamate Openeye Name: benzyl N-[1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]carbamate CAS Name: N-[1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]carbamate Traditional Name: N-[1-(2,4-dimethoxybenzyl)-7-keto-3-phenyl-5,6-dihydro-2H-azepin-6-yl]carbamic acid benzyl ester Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC(=CCC(C2=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC(=CCC(C2=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H30N2O5/c1-34-25-15-13-24(27(17-25)35-2)19-31-18-23(22-11-7-4-8-12-22)14-16-26(28(31)32)30-29(33)36-20-21-9-5-3-6-10-21/h3-15,17,26H,16,18-20H2,1-2H3,(H,30,33)