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

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinolin-3-yl] N-methylcarbamate Openeye Name: [2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinyl] ester IUPAC Name: [2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-oxo-4-phenylisoquinolin-3-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [2-[3,5-bis(trifluoromethyl)benzyl]-1-keto-4-phenyl-3-isoquinolyl] ester Formula: C26H18F6N2O3 MolecularWeight: 520.423139

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=C(C2=CC=CC=C2C(=O)N1CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)OC1=C(C2=CC=CC=C2C(=O)N1CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C26H18F6N2O3/c1-33-24(36)37-23-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)22(35)34(23)14-15-11-17(25(27,28)29)13-18(12-15)26(30,31)32/h2-13H,14H2,1H3,(H,33,36)