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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)CNCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)CNCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

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