2-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]benzoic acid

Systemtic Name: 2-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]benzoic acid Openeye Name: 2-[2-(2,4-dichlorophenyl)-4-methyl-5-(1-piperidylcarbamoyl)pyrazol-3-yl]benzoic acid CAS Name: 2-[2-(2,4-dichlorophenyl)-4-methyl-5-[oxo-(1-piperidinylamino)methyl]-3-pyrazolyl]benzoic acid IUPAC Name: 2-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]benzoic acid Traditional Name: 2-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidinocarbamoyl)pyrazol-3-yl]benzoic acid Formula: C23H22Cl2N4O3 MolecularWeight: 473.35178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H22Cl2N4O3/c1-14-20(22(30)27-28-11-5-2-6-12-28)26-29(19-10-9-15(24)13-18(19)25)21(14)16-7-3-4-8-17(16)23(31)32/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,27,30)(H,31,32)