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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]butan-1-one Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-4-5-15(21)20-16(18-17(19-20)22-9-11(2)3)12-6-7-13-14(8-12)24-10-23-13/h6-8,11H,4-5,9-10H2,1-3H3