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

Systemtic Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl] N-methylcarbamate Openeye Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-1-oxo-4-phenyl-3-isoquinolyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-1-oxo-4-phenyl-3-isoquinolinyl] ester IUPAC Name: [5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-1-oxo-4-phenylisoquinolin-3-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [5-[3,5-bis(trifluoromethyl)benzyl]-2-ethyl-1-keto-4-phenyl-3-isoquinolyl] ester Formula: C28H22F6N2O3 MolecularWeight: 548.476299

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C(C1=O)C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4)OC(=O)NC

Isomeric SMILES

CCN1C(=C(C2=C(C1=O)C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4)OC(=O)NC

InChI

InChI=1S/C28H22F6N2O3/c1-3-36-24(37)21-11-7-10-18(12-16-13-19(27(29,30)31)15-20(14-16)28(32,33)34)22(21)23(17-8-5-4-6-9-17)25(36)39-26(38)35-2/h4-11,13-15H,3,12H2,1-2H3,(H,35,38)