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

Systemtic Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)tetradecan-1-one Openeye Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)tetradecan-1-one CAS Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-1-tetradecanone IUPAC Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)tetradecan-1-one Traditional Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)tetradecan-1-one Formula: C26H41N3O2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N3O2/c1-3-5-7-8-9-10-11-12-13-14-18-21-24(30)29-25(23-19-16-15-17-20-23)27-26(28-29)31-22-6-4-2/h15-17,19-20H,3-14,18,21-22H2,1-2H3