1-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: 1-(1-azepanyl)-3-(3,4-dimethoxyphenyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCCCCC2)OC

InChI

InChI=1S/C17H25NO3/c1-20-15-9-7-14(13-16(15)21-2)8-10-17(19)18-11-5-3-4-6-12-18/h7,9,13H,3-6,8,10-12H2,1-2H3