methyl 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O3/c1-28-19(26)8-5-13-23-21(27)18-14-25(17-6-3-2-4-7-17)24-20(18)15-9-11-16(22)12-10-15/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,27)