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

Systemtic Name: 1-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[3-butoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[3-butoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-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)C)C(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-6-7-12-23-17-19-15(14-10-8-13(2)9-11-14)21(20-17)16(22)18(3,4)5/h8-11H,6-7,12H2,1-5H3