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

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(4-chlorophenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(4-chlorophenyl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(4-chlorophenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(4-chlorophenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-(4-chlorophenyl)acrylonitrile Formula: C16H17ClN2O MolecularWeight: 288.77198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)Cl)/C#N

InChI

InChI=1S/C16H17ClN2O/c17-15-7-5-13(6-8-15)11-14(12-18)16(20)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2/b14-11+