3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1-oxidanylidene-N-(1-oxidanylpropan-2-yl)-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1-oxidanylidene-N-(1-oxidanylpropan-2-yl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxy-1-methyl-ethyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-hydroxypropan-2-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-hydroxypropan-2-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxy-1-methyl-ethyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H20F6N2O3 MolecularWeight: 474.396219

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(CO)NC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H20F6N2O3/c1-11(10-31)29-19(32)17-15-5-3-4-6-16(15)20(33)30(2)18(17)12-7-13(21(23,24)25)9-14(8-12)22(26,27)28/h3-9,11,17-18,31H,10H2,1-2H3,(H,29,32)