(4-hexylphenyl)-[5-(4-methoxyphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-hexylphenyl)-[5-(4-methoxyphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Openeye Name: (4-hexylphenyl)-[5-(4-methoxyphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone CAS Name: (4-hexylphenyl)-[5-(4-methoxyphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-hexylphenyl)-[5-(4-methoxyphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Traditional Name: (4-hexylphenyl)-[5-(4-methoxyphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-4-6-7-8-9-19-10-12-21(13-11-19)24(29)28-23(26-25(27-28)31-18-5-2)20-14-16-22(30-3)17-15-20/h10-17H,4-9,18H2,1-3H3