3-[[[3,5-bis(trifluoromethyl)phenyl]amino]methyl]-2-methyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]amino]methyl]-2-methyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[[3,5-bis(trifluoromethyl)anilino]methyl]-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[[3,5-bis(trifluoromethyl)anilino]methyl]-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[[3,5-bis(trifluoromethyl)anilino]methyl]-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-[[3,5-bis(trifluoromethyl)anilino]methyl]-2-methyl-4-phenyl-isocarbostyril Formula: C25H18F6N2O MolecularWeight: 476.413639

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CNC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CNC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H18F6N2O/c1-33-21(14-32-18-12-16(24(26,27)28)11-17(13-18)25(29,30)31)22(15-7-3-2-4-8-15)19-9-5-6-10-20(19)23(33)34/h2-13,32H,14H2,1H3