1-methyl-4-(3-methylphenyl)-5-quinoxalin-6-yl-2-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-3-one

Systemtic Name: 1-methyl-4-(3-methylphenyl)-5-quinoxalin-6-yl-2-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-3-one Openeye Name: 1-methyl-4-(m-tolyl)-5-quinoxalin-6-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-one CAS Name: 1-methyl-4-(3-methylphenyl)-5-(6-quinoxalinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3-pyrazolone IUPAC Name: 1-methyl-4-(3-methylphenyl)-5-quinoxalin-6-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-one Traditional Name: 1-methyl-4-(m-tolyl)-5-quinoxalin-6-yl-2-[4-(trifluoromethoxy)benzyl]-3-pyrazolin-3-one Formula: C27H21F3N4O2 MolecularWeight: 490.47645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(N(C2=O)CC3=CC=C(C=C3)OC(F)(F)F)C)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(N(C2=O)CC3=CC=C(C=C3)OC(F)(F)F)C)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C27H21F3N4O2/c1-17-4-3-5-19(14-17)24-25(20-8-11-22-23(15-20)32-13-12-31-22)33(2)34(26(24)35)16-18-6-9-21(10-7-18)36-27(28,29)30/h3-15H,16H2,1-2H3