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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethyl-N-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: N-[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=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H22F6N2O2/c1-3-36-24(23(18-9-5-4-6-10-18)21-11-7-8-12-22(21)25(36)37)26(38)35(2)16-17-13-19(27(29,30)31)15-20(14-17)28(32,33)34/h4-15H,3,16H2,1-2H3