[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-(4-butoxyphenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCCC)C3=CC=C(C=C3)CC

InChI

InChI=1S/C25H31N3O3/c1-4-7-17-30-22-15-13-21(14-16-22)24(29)28-23(20-11-9-19(6-3)10-12-20)26-25(27-28)31-18-8-5-2/h9-16H,4-8,17-18H2,1-3H3