3-(4-methylphenyl)-4-(trifluoromethyl)isoquinoline

Systemtic Name: 3-(4-methylphenyl)-4-(trifluoromethyl)isoquinoline Openeye Name: 3-(p-tolyl)-4-(trifluoromethyl)isoquinoline CAS Name: 3-(4-methylphenyl)-4-(trifluoromethyl)isoquinoline IUPAC Name: 3-(4-methylphenyl)-4-(trifluoromethyl)isoquinoline Traditional Name: 3-(p-tolyl)-4-(trifluoromethyl)isoquinoline Formula: C17H12F3N MolecularWeight: 287.27909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)C(F)(F)F

InChI

InChI=1S/C17H12F3N/c1-11-6-8-12(9-7-11)16-15(17(18,19)20)14-5-3-2-4-13(14)10-21-16/h2-10H,1H3