1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C21H30FN3O2 MolecularWeight: 375.480203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CC=C2F)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CC=C2F)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C21H30FN3O2/c1-6-7-12-27-20-23-19(16-10-8-9-11-17(16)22)25(24-20)18(26)13-15(2)14-21(3,4)5/h8-11,15H,6-7,12-14H2,1-5H3