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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]butan-1-one Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c1-3-4-14(20)19-15(17-16(18-19)22-8-7-21-2)11-5-6-12-13(9-11)24-10-23-12/h5-6,9H,3-4,7-8,10H2,1-2H3