[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Openeye Name: [5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone CAS Name: [5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone IUPAC Name: [5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Traditional Name: [5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-(4-hexylphenyl)methanone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H27N3O4/c1-3-5-6-7-8-17-9-11-18(12-10-17)23(28)27-22(25-24(26-27)29-4-2)19-13-14-20-21(15-19)31-16-30-20/h9-15H,3-8,16H2,1-2H3