2-[[5-(2-dimethylaminoethyl)-4-[4-fluoranyl-2-(2-fluorophenyl)carbonyl-phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(2-dimethylaminoethyl)-4-[4-fluoranyl-2-(2-fluorophenyl)carbonyl-phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-(2-dimethylaminoethyl)-4-[4-fluoro-2-(2-fluorobenzoyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-(2-dimethylaminoethyl)-4-[4-fluoro-2-[(2-fluorophenyl)-oxomethyl]phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(2-dimethylaminoethyl)-4-[4-fluoro-2-(2-fluorobenzoyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[5-(2-dimethylaminoethyl)-4-[4-fluoro-2-(2-fluorobenzoyl)phenyl]-1,2,4-triazol-3-yl]methyl]isoindoline-1,3-quinone Formula: C28H23F2N5O3 MolecularWeight: 515.510726

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)F)C(=O)C3=CC=CC=C3F)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN(C)CCC1=NN=C(N1C2=C(C=C(C=C2)F)C(=O)C3=CC=CC=C3F)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H23F2N5O3/c1-33(2)14-13-24-31-32-25(16-34-27(37)18-7-3-4-8-19(18)28(34)38)35(24)23-12-11-17(29)15-21(23)26(36)20-9-5-6-10-22(20)30/h3-12,15H,13-14,16H2,1-2H3