4-[3-[(3-hydroxyphenyl)amino]-4-methyl-1-(trifluoromethyl)isoquinolin-7-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[(3-hydroxyphenyl)amino]-4-methyl-1-(trifluoromethyl)isoquinolin-7-yl]benzenecarbonitrile Openeye Name: 4-[3-(3-hydroxyanilino)-4-methyl-1-(trifluoromethyl)-7-isoquinolyl]benzonitrile CAS Name: 4-[3-(3-hydroxyanilino)-4-methyl-1-(trifluoromethyl)-7-isoquinolinyl]benzonitrile IUPAC Name: 4-[3-(3-hydroxyanilino)-4-methyl-1-(trifluoromethyl)isoquinolin-7-yl]benzonitrile Traditional Name: 4-[3-(3-hydroxyanilino)-4-methyl-1-(trifluoromethyl)-7-isoquinolyl]benzonitrile Formula: C24H16F3N3O MolecularWeight: 419.39855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=C1C=CC(=C2)C3=CC=C(C=C3)C#N)C(F)(F)F)NC4=CC(=CC=C4)O

Isomeric SMILES

CC1=C(N=C(C2=C1C=CC(=C2)C3=CC=C(C=C3)C#N)C(F)(F)F)NC4=CC(=CC=C4)O

InChI

InChI=1S/C24H16F3N3O/c1-14-20-10-9-17(16-7-5-15(13-28)6-8-16)11-21(20)22(24(25,26)27)30-23(14)29-18-3-2-4-19(31)12-18/h2-12,31H,1H3,(H,29,30)