[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoranyl-2-methyl-phenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl] N-methylcarbamate

Systemtic Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoranyl-2-methyl-phenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl] N-methylcarbamate Openeye Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methyl-phenyl)-2-methyl-1-oxo-3-isoquinolyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-2-methyl-1-oxo-3-isoquinolinyl] ester IUPAC Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-2-methyl-1-oxoisoquinolin-3-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [5-[3,5-bis(trifluoromethyl)benzyl]-4-(4-fluoro-2-methyl-phenyl)-1-keto-2-methyl-3-isoquinolyl] ester Formula: C28H21F7N2O3 MolecularWeight: 566.466762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=C(N(C(=O)C3=C2C(=CC=C3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)OC(=O)NC

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=C(N(C(=O)C3=C2C(=CC=C3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)OC(=O)NC

InChI

InChI=1S/C28H21F7N2O3/c1-14-9-19(29)7-8-20(14)23-22-16(5-4-6-21(22)24(38)37(3)25(23)40-26(39)36-2)10-15-11-17(27(30,31)32)13-18(12-15)28(33,34)35/h4-9,11-13H,10H2,1-3H3,(H,36,39)