1-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-2-cyano-phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-2-cyano-phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-2-cyano-phenyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[[[1-(4-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-2-cyanophenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-cyanophenyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-2-cyano-phenyl]isonipecotic acid Formula: C24H22ClN5O3 MolecularWeight: 463.91618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)C(=O)O)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)C(=O)O)C#N

InChI

InChI=1S/C24H22ClN5O3/c1-15-21(14-27-30(15)20-5-2-18(25)3-6-20)23(31)28-19-4-7-22(17(12-19)13-26)29-10-8-16(9-11-29)24(32)33/h2-7,12,14,16H,8-11H2,1H3,(H,28,31)(H,32,33)