4-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazol-3-yl]carbonylamino]butanoyl chloride

Systemtic Name: 4-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazol-3-yl]carbonylamino]butanoyl chloride Openeye Name: 4-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride CAS Name: 4-[[[1-[(2,6-dimethoxyphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]butanoyl chloride IUPAC Name: 4-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride Traditional Name: 4-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]butyryl chloride Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)NCCCC(=O)Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)NCCCC(=O)Cl

InChI

InChI=1S/C17H20ClN3O5/c1-24-13-5-3-6-14(25-2)16(13)26-11-21-10-8-12(20-21)17(23)19-9-4-7-15(18)22/h3,5-6,8,10H,4,7,9,11H2,1-2H3,(H,19,23)