2-cyclopropyl-1-oxidanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinoline-5-carboxamide

Systemtic Name: 2-cyclopropyl-1-oxidanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinoline-5-carboxamide Openeye Name: 2-cyclopropyl-1-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinoline-5-carboxamide CAS Name: 2-cyclopropyl-1-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-5-isoquinolinecarboxamide IUPAC Name: 2-cyclopropyl-1-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinoline-5-carboxamide Traditional Name: 2-cyclopropyl-1-keto-N-[4-(trifluoromethyl)benzyl]isoquinoline-5-carboxamide Formula: C21H17F3N2O2 MolecularWeight: 386.36709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CC3=C(C2=O)C=CC=C3C(=O)NCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC1N2C=CC3=C(C2=O)C=CC=C3C(=O)NCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O2/c22-21(23,24)14-6-4-13(5-7-14)12-25-19(27)17-2-1-3-18-16(17)10-11-26(20(18)28)15-8-9-15/h1-7,10-11,15H,8-9,12H2,(H,25,27)