(E)-2-(azepan-1-ylcarbonyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(4-ethoxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-(4-ethoxy-3-methoxy-phenyl)acrylonitrile Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3/c1-3-24-17-9-8-15(13-18(17)23-2)12-16(14-20)19(22)21-10-6-4-5-7-11-21/h8-9,12-13H,3-7,10-11H2,1-2H3/b16-12+