2-(azepan-1-ylcarbonyl)-3-(4-methylphenyl)prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-(4-methylphenyl)prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-(p-tolyl)prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-(4-methylphenyl)-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-(4-methylphenyl)prop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-(p-tolyl)acrylonitrile Formula: C17H20N2O MolecularWeight: 268.3535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H20N2O/c1-14-6-8-15(9-7-14)12-16(13-18)17(20)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3