methyl 4-[[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carbonyl]amino]butanoate CAS Name: 4-[[[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-chlorophenyl)-2-phenylpyrazole-3-carbonyl]amino]butanoate Traditional Name: 4-[[5-(4-chlorophenyl)-2-phenyl-pyrazole-3-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=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

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