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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1,4-diazepan-5-one Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-2-hydroxy-1-phenyl-ethyl]-1,4-diazepan-5-one CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-2-hydroxy-1-phenyl-ethyl]-1-veratryl-1,4-diazepan-5-one Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-27-20-9-8-17(14-21(20)28-2)15-23-11-10-22(26)24(13-12-23)19(16-25)18-6-4-3-5-7-18/h3-9,14,19,25H,10-13,15-16H2,1-2H3/t19-/m1/s1