(4-hexylphenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone

Systemtic Name: (4-hexylphenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone Openeye Name: (4-hexylphenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone CAS Name: (4-hexylphenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone IUPAC Name: (4-hexylphenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone Traditional Name: (4-hexylphenyl)-(5-phenyl-3-propoxy-1,2,4-triazol-1-yl)methanone Formula: C24H29N3O2 MolecularWeight: 391.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCC)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-3-5-6-8-11-19-14-16-21(17-15-19)23(28)27-22(20-12-9-7-10-13-20)25-24(26-27)29-18-4-2/h7,9-10,12-17H,3-6,8,11,18H2,1-2H3