(E)-3-(3,4-diethoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(3,4-diethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(3,4-diethoxyphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-2-propenamide IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(3,4-diethoxyphenyl)-N-[3-(2-ketoazepan-1-yl)propyl]acrylamide Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NCCCN2CCCCCC2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)NCCCN2CCCCCC2=O)OCC

InChI

InChI=1S/C22H32N2O4/c1-3-27-19-12-10-18(17-20(19)28-4-2)11-13-21(25)23-14-8-16-24-15-7-5-6-9-22(24)26/h10-13,17H,3-9,14-16H2,1-2H3,(H,23,25)/b13-11+