(E)-2-(azepan-1-ylcarbonyl)-3-(4-ethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(4-ethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(4-ethoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(4-ethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(4-ethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-p-phenetyl-acrylonitrile Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCCCCC2

InChI

InChI=1S/C18H22N2O2/c1-2-22-17-9-7-15(8-10-17)13-16(14-19)18(21)20-11-5-3-4-6-12-20/h7-10,13H,2-6,11-12H2,1H3/b16-13+