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

Systemtic Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-methyl-amino]methyl]-2-methyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-methyl-amino]methyl]-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]methyl]-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]methyl]-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-[[[3,5-bis(trifluoromethyl)benzyl]-methyl-amino]methyl]-2-methyl-4-phenyl-isocarbostyril Formula: C27H22F6N2O MolecularWeight: 504.466799

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H22F6N2O/c1-34(15-17-12-19(26(28,29)30)14-20(13-17)27(31,32)33)16-23-24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)25(36)35(23)2/h3-14H,15-16H2,1-2H3