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

Systemtic Name: 4-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]piperazine-1-carbaldehyde CAS Name: 4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]piperazine-1-carbaldehyde Formula: C17H21F2N5O2 MolecularWeight: 365.377746

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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

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN(CC3)C=O

InChI

InChI=1S/C17H21F2N5O2/c1-13(23-6-4-22(12-25)5-7-23)17(26,9-24-11-20-10-21-24)15-3-2-14(18)8-16(15)19/h2-3,8,10-13,26H,4-7,9H2,1H3