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

Systemtic Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3/c1-7-8-13-28-21-23-20(17-9-11-18(27-6)12-10-17)25(24-21)19(26)14-16(2)15-22(3,4)5/h9-12,16H,7-8,13-15H2,1-6H3