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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=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

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