2-[[5-(2-dimethylaminoethyl)-4-[2-(phenylcarbonyl)-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(2-dimethylaminoethyl)-4-[2-(phenylcarbonyl)-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[2-benzoyl-4-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[2-benzoyl-4-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[2-benzoyl-4-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-[2-benzoyl-4-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethyl)-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-quinone Formula: C29H24F3N5O3 MolecularWeight: 547.52777

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H24F3N5O3/c1-35(2)15-14-24-33-34-25(17-36-27(39)20-10-6-7-11-21(20)28(36)40)37(24)23-13-12-19(29(30,31)32)16-22(23)26(38)18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3