2-(azepan-1-ylcarbonyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-(3,4-dimethoxyphenyl)acrylonitrile Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2)OC

InChI

InChI=1S/C18H22N2O3/c1-22-16-8-7-14(12-17(16)23-2)11-15(13-19)18(21)20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3