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

Systemtic Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)dodecan-1-one Openeye Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)dodecan-1-one CAS Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-1-dodecanone IUPAC Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)dodecan-1-one Traditional Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)dodecan-1-one Formula: C24H37N3O2 MolecularWeight: 399.56948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O2/c1-3-5-7-8-9-10-11-12-16-19-22(28)27-23(21-17-14-13-15-18-21)25-24(26-27)29-20-6-4-2/h13-15,17-18H,3-12,16,19-20H2,1-2H3