2-(azepan-1-ylcarbonyl)-3-(3,4-dichlorophenyl)prop-2-enenitrile

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3-(3,4-dichlorophenyl)prop-2-enenitrile Openeye Name: 2-(azepane-1-carbonyl)-3-(3,4-dichlorophenyl)prop-2-enenitrile CAS Name: 2-[1-azepanyl(oxo)methyl]-3-(3,4-dichlorophenyl)-2-propenenitrile IUPAC Name: 2-(azepane-1-carbonyl)-3-(3,4-dichlorophenyl)prop-2-enenitrile Traditional Name: 2-(azepane-1-carbonyl)-3-(3,4-dichlorophenyl)acrylonitrile Formula: C16H16Cl2N2O MolecularWeight: 323.21704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2O/c17-14-6-5-12(10-15(14)18)9-13(11-19)16(21)20-7-3-1-2-4-8-20/h5-6,9-10H,1-4,7-8H2