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

Systemtic Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-4-7-13-23-18-19-17(21(20-18)16(22)8-5-2)15-11-9-14(6-3)10-12-15/h9-12H,4-8,13H2,1-3H3