4-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]butanoyl chloride

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]butanoyl chloride Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]butanoyl chloride CAS Name: 4-[[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-oxomethyl]amino]butanoyl chloride IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]butanoyl chloride Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]butyryl chloride Formula: C15H14ClN3O4 MolecularWeight: 335.74236

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NCCCC(=O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NCCCC(=O)Cl

InChI

InChI=1S/C15H14ClN3O4/c16-14(20)2-1-5-17-15(21)11-7-10(18-19-11)9-3-4-12-13(6-9)23-8-22-12/h3-4,6-7H,1-2,5,8H2,(H,17,21)(H,18,19)