2-[2-azanyl-3-(4-chlorophenyl)carbonyl-5-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(4-chlorophenyl)carbonyl-5-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-[2-amino-3-(4-chlorobenzoyl)-5-(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-[2-amino-3-[(4-chlorophenyl)-oxomethyl]-5-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-[2-amino-3-(4-chlorobenzoyl)-5-(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-[2-amino-3-(4-chlorobenzoyl)-5-(trifluoromethyl)phenyl]acetonitrile Formula: C16H10ClF3N2O MolecularWeight: 338.71161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC(=CC(=C2N)CC#N)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC(=CC(=C2N)CC#N)C(F)(F)F)Cl

InChI

InChI=1S/C16H10ClF3N2O/c17-12-3-1-9(2-4-12)15(23)13-8-11(16(18,19)20)7-10(5-6-21)14(13)22/h1-4,7-8H,5,22H2