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

Systemtic Name: methyl 3-[[3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]propanoate CAS Name: 3-[[[3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]amino]propionic acid methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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