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

Systemtic Name: 4-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]-1-(trifluoromethyl)isoquinolin-7-yl]benzenecarbonitrile Openeye Name: 4-[4-methyl-3-[(1-methyl-4-piperidyl)amino]-1-(trifluoromethyl)-7-isoquinolyl]benzonitrile CAS Name: 4-[4-methyl-3-[(1-methyl-4-piperidinyl)amino]-1-(trifluoromethyl)-7-isoquinolinyl]benzonitrile IUPAC Name: 4-[4-methyl-3-[(1-methylpiperidin-4-yl)amino]-1-(trifluoromethyl)isoquinolin-7-yl]benzonitrile Traditional Name: 4-[4-methyl-3-[(1-methyl-4-piperidyl)amino]-1-(trifluoromethyl)-7-isoquinolyl]benzonitrile Formula: C24H23F3N4 MolecularWeight: 424.46143

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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)NC4CCN(CC4)C

Isomeric SMILES

CC1=C(N=C(C2=C1C=CC(=C2)C3=CC=C(C=C3)C#N)C(F)(F)F)NC4CCN(CC4)C

InChI

InChI=1S/C24H23F3N4/c1-15-20-8-7-18(17-5-3-16(14-28)4-6-17)13-21(20)22(24(25,26)27)30-23(15)29-19-9-11-31(2)12-10-19/h3-8,13,19H,9-12H2,1-2H3,(H,29,30)