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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]pentan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]pentan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-1-pentanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]pentan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]pentan-1-one Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-3-5-6-14(20)19-15(17-16(18-19)21-4-2)11-7-8-12-13(9-11)23-10-22-12/h7-9H,3-6,10H2,1-2H3