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

Systemtic Name: 2-methyl-1-oxidanylidene-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinoline-3-carboxamide Openeye Name: 2-methyl-1-oxo-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinoline-3-carboxamide CAS Name: 2-methyl-1-oxo-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3-isoquinolinecarboxamide IUPAC Name: 2-methyl-1-oxo-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinoline-3-carboxamide Traditional Name: 1-keto-2-methyl-4-phenyl-N-[4-(trifluoromethyl)benzyl]isoquinoline-3-carboxamide Formula: C25H19F3N2O2 MolecularWeight: 436.42577

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H19F3N2O2/c1-30-22(23(31)29-15-16-11-13-18(14-12-16)25(26,27)28)21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)24(30)32/h2-14H,15H2,1H3,(H,29,31)