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

Systemtic Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Openeye Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one CAS Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-dodecanone IUPAC Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Traditional Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C25H39N3O3/c1-4-6-8-9-10-11-12-13-14-15-23(29)28-24(21-16-18-22(30-3)19-17-21)26-25(27-28)31-20-7-5-2/h16-19H,4-15,20H2,1-3H3