1-[(3,4-dimethoxyphenyl)methyl]-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-5-one CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,4-diazepan-5-one IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-hydroxy-ethyl]-1-veratryl-1,4-diazepan-5-one Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(=O)N(CC2)C(CC3=CC=CC=C3)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(=O)N(CC2)[C@@H](CC3=CC=CC=C3)CO)OC

InChI

InChI=1S/C23H30N2O4/c1-28-21-9-8-19(15-22(21)29-2)16-24-11-10-23(27)25(13-12-24)20(17-26)14-18-6-4-3-5-7-18/h3-9,15,20,26H,10-14,16-17H2,1-2H3/t20-/m0/s1