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

Systemtic Name: [4-[3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone Openeye Name: [4-[2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone CAS Name: [4-[3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1-piperazinyl]-[4-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-[3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone Traditional Name: [4-[2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]piperazino]-[4-(trifluoromethyl)phenyl]methanone Formula: C18H22F3N5O2 MolecularWeight: 397.39479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C(CN1C=NC=N1)O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H22F3N5O2/c1-13(16(27)10-26-12-22-11-23-26)24-6-8-25(9-7-24)17(28)14-2-4-15(5-3-14)18(19,20)21/h2-5,11-13,16,27H,6-10H2,1H3