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

Systemtic Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Formula: C18H24FN3O2 MolecularWeight: 333.400463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN3O2/c1-5-6-11-24-17-20-16(13-9-7-8-10-14(13)19)22(21-17)15(23)12-18(2,3)4/h7-10H,5-6,11-12H2,1-4H3