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

Systemtic Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one Openeye Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one CAS Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-decanone IUPAC Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one Traditional Name: 1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one Formula: C23H35N3O3 MolecularWeight: 401.5423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O3/c1-4-6-8-9-10-11-12-13-21(27)26-22(19-14-16-20(28-3)17-15-19)24-23(25-26)29-18-7-5-2/h14-17H,4-13,18H2,1-3H3