4-[4-[4-[4-[[2-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one; 2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 4-[4-[4-[4-[[2-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-butan-2-yl-1,2,4-triazol-3-one; 2,3-bis(oxidanyl)butanedioic acid Openeye Name: 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one; 2,3-dihydroxybutanedioic acid CAS Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one; 2,3-dihydroxybutanedioic acid IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; 2,3-dihydroxybutanedioic acid Traditional Name: 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one; tartaric acid Formula: C39H44F2N8O10 MolecularWeight: 822.811066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C35H38F2N8O4.C4H6O6/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37;5-1(3(7)8)2(6)4(9)10/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)