4-(1,2,4-triazol-1-yl)-1-[4-(trifluoromethyloxy)phenyl]pentan-3-one

Systemtic Name: 4-(1,2,4-triazol-1-yl)-1-[4-(trifluoromethyloxy)phenyl]pentan-3-one Openeye Name: 4-(1,2,4-triazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]pentan-3-one CAS Name: 4-(1,2,4-triazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]-3-pentanone IUPAC Name: 4-(1,2,4-triazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]pentan-3-one Traditional Name: 4-(1,2,4-triazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]pentan-3-one Formula: C14H14F3N3O2 MolecularWeight: 313.27507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCC1=CC=C(C=C1)OC(F)(F)F)N2C=NC=N2

Isomeric SMILES

CC(C(=O)CCC1=CC=C(C=C1)OC(F)(F)F)N2C=NC=N2

InChI

InChI=1S/C14H14F3N3O2/c1-10(20-9-18-8-19-20)13(21)7-4-11-2-5-12(6-3-11)22-14(15,16)17/h2-3,5-6,8-10H,4,7H2,1H3