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

Systemtic Name: 2-[5-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-1-yl]benzoic acid Openeye Name: 2-[5-(4-chlorophenyl)-4-methyl-3-(1-piperidylcarbamoyl)pyrazol-1-yl]benzoic acid CAS Name: 2-[5-(4-chlorophenyl)-4-methyl-3-[oxo-(1-piperidinylamino)methyl]-1-pyrazolyl]benzoic acid IUPAC Name: 2-[5-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-1-yl]benzoic acid Traditional Name: 2-[5-(4-chlorophenyl)-4-methyl-3-(piperidinocarbamoyl)pyrazol-1-yl]benzoic acid Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=CC=CC=C3C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-15-20(22(29)26-27-13-5-2-6-14-27)25-28(19-8-4-3-7-18(19)23(30)31)21(15)16-9-11-17(24)12-10-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)