7,8-bis(4-chlorophenyl)-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Systemtic Name: 7,8-bis(4-chlorophenyl)-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Openeye Name: 7,8-bis(4-chlorophenyl)-5-morpholino-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one CAS Name: 7,8-bis(4-chlorophenyl)-5-(4-morpholinyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one IUPAC Name: 7,8-bis(4-chlorophenyl)-5-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Traditional Name: 7,8-bis(4-chlorophenyl)-5-morpholino-2-[4-(trifluoromethyl)benzyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Formula: C29H22Cl2F3N5O2 MolecularWeight: 600.41849

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C(C3=NN(C(=O)N32)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1COCCN1C2=NC(=C(C3=NN(C(=O)N32)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H22Cl2F3N5O2/c30-22-9-3-19(4-10-22)24-25(20-5-11-23(31)12-6-20)35-27(37-13-15-41-16-14-37)39-26(24)36-38(28(39)40)17-18-1-7-21(8-2-18)29(32,33)34/h1-12H,13-17H2