4-(2-azanyl-2-phenyl-ethyl)-6-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-2-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione

Systemtic Name: 4-(2-azanyl-2-phenyl-ethyl)-6-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-2-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione Openeye Name: 4-(2-amino-2-phenyl-ethyl)-6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione CAS Name: 4-(2-amino-2-phenylethyl)-6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione IUPAC Name: 4-(2-amino-2-phenylethyl)-6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-(3-methoxyphenyl)-1,2,4-triazine-3,5-dione Traditional Name: 4-(2-amino-2-phenyl-ethyl)-6-[2-fluoro-6-(trifluoromethyl)benzyl]-2-(3-methoxyphenyl)-1,2,4-triazine-3,5-quinone Formula: C26H22F4N4O3 MolecularWeight: 514.471493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)N(C(=O)C(=N2)CC3=C(C=CC=C3F)C(F)(F)F)CC(C4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)N(C(=O)C(=N2)CC3=C(C=CC=C3F)C(F)(F)F)CC(C4=CC=CC=C4)N

InChI

InChI=1S/C26H22F4N4O3/c1-37-18-10-5-9-17(13-18)34-25(36)33(15-22(31)16-7-3-2-4-8-16)24(35)23(32-34)14-19-20(26(28,29)30)11-6-12-21(19)27/h2-13,22H,14-15,31H2,1H3