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

Systemtic Name: (phenylmethyl) N-[3-bromanyl-1-[(2,4-dimethoxyphenyl)methyl]-7-oxidanylidene-5,6-dihydro-2H-azepin-6-yl]carbamate Openeye Name: benzyl N-[3-bromo-1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamate CAS Name: N-[3-bromo-1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-bromo-1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-5,6-dihydro-2H-azepin-6-yl]carbamate Traditional Name: N-[3-bromo-1-(2,4-dimethoxybenzyl)-7-keto-5,6-dihydro-2H-azepin-6-yl]carbamic acid benzyl ester Formula: C23H25BrN2O5 MolecularWeight: 489.359

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O5/c1-29-19-10-8-17(21(12-19)30-2)13-26-14-18(24)9-11-20(22(26)27)25-23(28)31-15-16-6-4-3-5-7-16/h3-10,12,20H,11,13-15H2,1-2H3,(H,25,28)