2-cyclopropyl-N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: 2-cyclopropyl-N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: 2-cyclopropyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 2-cyclopropyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 2-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)benzyl]-1-keto-isoquinoline-5-carboxamide Formula: C21H16F4N2O2 MolecularWeight: 404.357553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F4N2O2/c22-18-7-4-12(10-17(18)21(23,24)25)11-26-19(28)15-2-1-3-16-14(15)8-9-27(20(16)29)13-5-6-13/h1-4,7-10,13H,5-6,11H2,(H,26,28)