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

Systemtic Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl] N-methylcarbamate Openeye Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxo-4-phenyl-3-isoquinolyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl] ester IUPAC Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-oxo-4-phenylisoquinolin-3-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [5-[3,5-bis(trifluoromethyl)benzyl]-1-keto-2-methyl-4-phenyl-3-isoquinolyl] ester Formula: C27H20F6N2O3 MolecularWeight: 534.449719

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=C(C2=C(C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N1C)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)OC1=C(C2=C(C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N1C)C4=CC=CC=C4

InChI

InChI=1S/C27H20F6N2O3/c1-34-25(37)38-24-22(16-7-4-3-5-8-16)21-17(9-6-10-20(21)23(36)35(24)2)11-15-12-18(26(28,29)30)14-19(13-15)27(31,32)33/h3-10,12-14H,11H2,1-2H3,(H,34,37)