4-hexyl-5-[2-(4-methoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-hexyl-5-[2-(4-methoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-hexyl-5-[2-(4-methoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-hexyl-5-[2-(4-methoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-hexyl-5-[2-(4-methoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-hexyl-2-m-anisyl-5-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-3-one Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN(C1=O)CC2=CC(=CC=C2)OC)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCN1C(=NN(C1=O)CC2=CC(=CC=C2)OC)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33N3O3/c1-4-5-6-7-17-27-24(16-13-20-11-14-22(30-2)15-12-20)26-28(25(27)29)19-21-9-8-10-23(18-21)31-3/h8-12,14-15,18H,4-7,13,16-17,19H2,1-3H3