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

Systemtic Name: 4-(2-azanyl-2-phenyl-ethyl)-6-(2-chloranyl-3-methoxy-phenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione Openeye Name: 4-(2-amino-2-phenyl-ethyl)-6-(2-chloro-3-methoxy-phenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione CAS Name: 4-(2-amino-2-phenylethyl)-6-(2-chloro-3-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione IUPAC Name: 4-(2-amino-2-phenylethyl)-6-(2-chloro-3-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione Traditional Name: 4-(2-amino-2-phenyl-ethyl)-6-(2-chloro-3-methoxy-phenyl)-2-[2-(trifluoromethyl)benzyl]-1,2,4-triazine-3,5-quinone Formula: C26H22ClF3N4O3 MolecularWeight: 530.92609

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1Cl)C2=NN(C(=O)N(C2=O)CC(C3=CC=CC=C3)N)CC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1Cl)C2=NN(C(=O)N(C2=O)CC(C3=CC=CC=C3)N)CC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C26H22ClF3N4O3/c1-37-21-13-7-11-18(22(21)27)23-24(35)33(15-20(31)16-8-3-2-4-9-16)25(36)34(32-23)14-17-10-5-6-12-19(17)26(28,29)30/h2-13,20H,14-15,31H2,1H3