1-[(2S)-2-azanyl-2-(3,4-dimethoxyphenyl)ethyl]azepan-2-one

Systemtic Name: 1-[(2S)-2-azanyl-2-(3,4-dimethoxyphenyl)ethyl]azepan-2-one Openeye Name: 1-[(2S)-2-amino-2-(3,4-dimethoxyphenyl)ethyl]azepan-2-one CAS Name: 1-[(2S)-2-amino-2-(3,4-dimethoxyphenyl)ethyl]-2-azepanone IUPAC Name: 1-[(2S)-2-amino-2-(3,4-dimethoxyphenyl)ethyl]azepan-2-one Traditional Name: 1-[(2S)-2-amino-2-(3,4-dimethoxyphenyl)ethyl]azepan-2-one Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCCCCC2=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CN2CCCCCC2=O)N)OC

InChI

InChI=1S/C16H24N2O3/c1-20-14-8-7-12(10-15(14)21-2)13(17)11-18-9-5-3-4-6-16(18)19/h7-8,10,13H,3-6,9,11,17H2,1-2H3/t13-/m1/s1