5-(2-chloranyl-3-propyl-phenyl)-4-methoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 5-(2-chloranyl-3-propyl-phenyl)-4-methoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 5-(2-chloro-3-propyl-phenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 5-(2-chloro-3-propylphenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 5-(2-chloro-3-propylphenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 5-(2-chloro-3-propyl-phenyl)-3-keto-4-methoxy-2-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C22H21ClF3NO2 MolecularWeight: 423.85585

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)CC(C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F)OC)Cl

Isomeric SMILES

CCCC1=C(C(=CC=C1)CC(C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F)OC)Cl

InChI

InChI=1S/C22H21ClF3NO2/c1-3-6-14-7-4-9-16(20(14)23)12-19(29-2)21(28)18(13-27)15-8-5-10-17(11-15)22(24,25)26/h4-5,7-11,18-19H,3,6,12H2,1-2H3