(E)-2-(azepan-1-ylcarbonyl)-3-(2-methoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(2-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(2-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(2-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(2-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-(2-methoxyphenyl)acrylonitrile Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C#N)C(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC=CC=C1/C=C(\C#N)/C(=O)N2CCCCCC2

InChI

InChI=1S/C17H20N2O2/c1-21-16-9-5-4-8-14(16)12-15(13-18)17(20)19-10-6-2-3-7-11-19/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3/b15-12+