5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: 5-[3,5-bis(trifluoromethyl)benzyl]-2-ethyl-1-keto-N-methyl-4-phenyl-isoquinoline-3-carboxamide Formula: C28H22F6N2O2 MolecularWeight: 532.476899

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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)C(=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)C(=O)NC

InChI

InChI=1S/C28H22F6N2O2/c1-3-36-24(25(37)35-2)23(17-8-5-4-6-9-17)22-18(10-7-11-21(22)26(36)38)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,35,37)