1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OCC(C)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OCC(C)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H29N3O4/c1-5-7-8-15(6-2)20(25)24-19(22-21(23-24)26-12-14(3)4)16-9-10-17-18(11-16)28-13-27-17/h9-11,14-15H,5-8,12-13H2,1-4H3