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

Systemtic Name: methyl 4-[[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-29-20(27)8-5-13-24-22(28)19-15-26(14-16-6-3-2-4-7-16)25-21(19)17-9-11-18(23)12-10-17/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,24,28)