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

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(4-butoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(4-butoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(4-butoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(4-butoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-(4-butoxyphenyl)acrylonitrile Formula: C20H26N2O2 MolecularWeight: 326.43264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCCCCC2

InChI

InChI=1S/C20H26N2O2/c1-2-3-14-24-19-10-8-17(9-11-19)15-18(16-21)20(23)22-12-6-4-5-7-13-22/h8-11,15H,2-7,12-14H2,1H3/b18-15+