2-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(4-ethanoylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(4-ethanoylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-one Openeye Name: 4-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-one CAS Name: 4-[4-(4-acetyl-1-piperazinyl)phenyl]-2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,2,4-triazol-3-one IUPAC Name: 4-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,2,4-triazol-3-one Traditional Name: 4-[4-(4-acetylpiperazino)phenyl]-2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazol-3-one Formula: C26H28F2N8O3 MolecularWeight: 538.549126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C(=O)N(C=N3)C4=CC=C(C=C4)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C(=O)N(C=N3)C4=CC=C(C=C4)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C26H28F2N8O3/c1-18(26(39,14-34-16-29-15-30-34)23-8-3-20(27)13-24(23)28)36-25(38)35(17-31-36)22-6-4-21(5-7-22)33-11-9-32(10-12-33)19(2)37/h3-8,13,15-18,39H,9-12,14H2,1-2H3