2-octyl-1-(1,2,4-triazol-1-yl)dodecan-1-one

Systemtic Name: 2-octyl-1-(1,2,4-triazol-1-yl)dodecan-1-one Openeye Name: 2-octyl-1-(1,2,4-triazol-1-yl)dodecan-1-one CAS Name: 2-octyl-1-(1,2,4-triazol-1-yl)-1-dodecanone IUPAC Name: 2-octyl-1-(1,2,4-triazol-1-yl)dodecan-1-one Traditional Name: 2-octyl-1-(1,2,4-triazol-1-yl)dodecan-1-one Formula: C22H41N3O MolecularWeight: 363.58044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)C(=O)N1C=NC=N1

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)C(=O)N1C=NC=N1

InChI

InChI=1S/C22H41N3O/c1-3-5-7-9-11-12-14-16-18-21(17-15-13-10-8-6-4-2)22(26)25-20-23-19-24-25/h19-21H,3-18H2,1-2H3