methyl 6-[[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(4-chlorophenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]amino]hexanoic acid methyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-28-20(26)7-3-2-4-12-23-21(27)17-14-18(19-6-5-13-29-19)25(24-17)16-10-8-15(22)9-11-16/h5-6,8-11,13-14H,2-4,7,12H2,1H3,(H,23,27)