1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]pentan-1-one

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]pentan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]pentan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]-1-pentanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]pentan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]pentan-1-one Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-3-4-5-15(21)20-16(18-17(19-20)23-9-8-22-2)12-6-7-13-14(10-12)25-11-24-13/h6-7,10H,3-5,8-9,11H2,1-2H3