N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-quinolin-6-yl-2-(trifluoromethyloxy)benzamide

Systemtic Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-quinolin-6-yl-2-(trifluoromethyloxy)benzamide Openeye Name: N-[1-(cyanomethyl)-2-(1H-indol-3-yl)ethyl]-5-(6-quinolyl)-2-(trifluoromethoxy)benzamide CAS Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-(6-quinolinyl)-2-(trifluoromethoxy)benzamide IUPAC Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-quinolin-6-yl-2-(trifluoromethoxy)benzamide Traditional Name: N-[1-(cyanomethyl)-2-(1H-indol-3-yl)ethyl]-5-(6-quinolyl)-2-(trifluoromethoxy)benzamide Formula: C29H21F3N4O2 MolecularWeight: 514.49785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(CC#N)NC(=O)C3=C(C=CC(=C3)C4=CC5=C(C=C4)N=CC=C5)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(CC#N)NC(=O)C3=C(C=CC(=C3)C4=CC5=C(C=C4)N=CC=C5)OC(F)(F)F

InChI

InChI=1S/C29H21F3N4O2/c30-29(31,32)38-27-10-8-19(18-7-9-25-20(14-18)4-3-13-34-25)16-24(27)28(37)36-22(11-12-33)15-21-17-35-26-6-2-1-5-23(21)26/h1-10,13-14,16-17,22,35H,11,15H2,(H,36,37)