3-[8-[1-[6-(trifluoromethyl)pyridin-3-yl]carbonylpiperidin-4-yl]oxyisoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[1-[6-(trifluoromethyl)pyridin-3-yl]carbonylpiperidin-4-yl]oxyisoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]-4-piperidyl]oxy]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[oxo-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-piperidinyl]oxy]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-[6-(trifluoromethyl)nicotinoyl]-4-piperidyl]oxy]-6-isoquinolyl]benzonitrile Formula: C28H21F3N4O2 MolecularWeight: 502.48715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)C5=CN=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCC1OC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)C5=CN=C(C=C5)C(F)(F)F

InChI

InChI=1S/C28H21F3N4O2/c29-28(30,31)26-5-4-21(16-34-26)27(36)35-10-7-23(8-11-35)37-25-14-22(13-20-6-9-33-17-24(20)25)19-3-1-2-18(12-19)15-32/h1-6,9,12-14,16-17,23H,7-8,10-11H2