methyl 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-methyl-butanoate CAS Name: 2-[[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-methylbutanoate Traditional Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

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