1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)tetradecan-1-one

Systemtic Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)tetradecan-1-one Openeye Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)tetradecan-1-one CAS Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)-1-tetradecanone IUPAC Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)tetradecan-1-one Traditional Name: 1-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)tetradecan-1-one Formula: C25H39N3O2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCC)C2=CC=CC=C2

InChI

InChI=1S/C25H39N3O2/c1-3-5-6-7-8-9-10-11-12-13-17-20-23(29)28-24(22-18-15-14-16-19-22)26-25(27-28)30-21-4-2/h14-16,18-19H,3-13,17,20-21H2,1-2H3