N-(3-chloranyl-4-cyano-phenyl)-2-cyclopentyl-2-oxidanyl-4-[4-(trifluoromethyl)phenyl]but-3-ynamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-cyclopentyl-2-oxidanyl-4-[4-(trifluoromethyl)phenyl]but-3-ynamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-cyclopentyl-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-ynamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-2-hydroxy-4-[4-(trifluoromethyl)phenyl]-3-butynamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-ynamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-cyclopentyl-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-ynamide Formula: C23H18ClF3N2O2 MolecularWeight: 446.84943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C#CC2=CC=C(C=C2)C(F)(F)F)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

C1CCC(C1)C(C#CC2=CC=C(C=C2)C(F)(F)F)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C23H18ClF3N2O2/c24-20-13-19(10-7-16(20)14-28)29-21(30)22(31,17-3-1-2-4-17)12-11-15-5-8-18(9-6-15)23(25,26)27/h5-10,13,17,31H,1-4H2,(H,29,30)