methyl 2-[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]-2-methyl-propanoate CAS Name: 2-[[2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]-2-methylpropanoate Traditional Name: 2-[[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]-2-methyl-propionic acid methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-22(2,21(28)29-3)24-19(27)13-16-14-26(18-7-5-4-6-8-18)25-20(16)15-9-11-17(23)12-10-15/h4-12,14H,13H2,1-3H3,(H,24,27)