[4-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]piperazino]-(4-nitrophenyl)methanone Formula: C23H24F2N6O4 MolecularWeight: 486.471266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24F2N6O4/c1-16(23(33,13-30-15-26-14-27-30)20-7-4-18(24)12-21(20)25)28-8-10-29(11-9-28)22(32)17-2-5-19(6-3-17)31(34)35/h2-7,12,14-16,33H,8-11,13H2,1H3