2-(azepan-1-ylcarbonyl)-3-phenyl-prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-phenyl-prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-phenyl-prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-phenyl-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-phenylprop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-phenyl-acrylonitrile Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=CC=C2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H18N2O/c17-13-15(12-14-8-4-3-5-9-14)16(19)18-10-6-1-2-7-11-18/h3-5,8-9,12H,1-2,6-7,10-11H2