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

Systemtic Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)hexan-1-one Openeye Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)hexan-1-one CAS Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-1-hexanone IUPAC Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)hexan-1-one Traditional Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)hexan-1-one Formula: C18H25N3O2 MolecularWeight: 315.41

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-3-5-8-13-16(22)21-17(15-11-9-7-10-12-15)19-18(20-21)23-14-6-4-2/h7,9-12H,3-6,8,13-14H2,1-2H3