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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C25H19F3N2O2/c1-15-10-11-19(12-16(15)2)30-14-22(20-8-3-4-9-21(20)24(30)32)23(31)29-18-7-5-6-17(13-18)25(26,27)28/h3-14H,1-2H3,(H,29,31)