4-[4-methyl-3-(propan-2-ylamino)-1-(trifluoromethyl)isoquinolin-7-yl]benzenecarbonitrile

Systemtic Name: 4-[4-methyl-3-(propan-2-ylamino)-1-(trifluoromethyl)isoquinolin-7-yl]benzenecarbonitrile Openeye Name: 4-[3-(isopropylamino)-4-methyl-1-(trifluoromethyl)-7-isoquinolyl]benzonitrile CAS Name: 4-[4-methyl-3-(propan-2-ylamino)-1-(trifluoromethyl)-7-isoquinolinyl]benzonitrile IUPAC Name: 4-[4-methyl-3-(propan-2-ylamino)-1-(trifluoromethyl)isoquinolin-7-yl]benzonitrile Traditional Name: 4-[3-(isopropylamino)-4-methyl-1-(trifluoromethyl)-7-isoquinolyl]benzonitrile Formula: C21H18F3N3 MolecularWeight: 369.38293

Click to see the large picture

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)NC(C)C

Isomeric SMILES

CC1=C(N=C(C2=C1C=CC(=C2)C3=CC=C(C=C3)C#N)C(F)(F)F)NC(C)C

InChI

InChI=1S/C21H18F3N3/c1-12(2)26-20-13(3)17-9-8-16(15-6-4-14(11-25)5-7-15)10-18(17)19(27-20)21(22,23)24/h4-10,12H,1-3H3,(H,26,27)