4-[(phenylmethyl)-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]carbonyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(phenylmethyl)-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]carbonyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[benzyl-[1-[2-(4-piperidyl)ethyl]pyrazole-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[oxo-[1-[2-(4-piperidinyl)ethyl]-4-pyrazolyl]methyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[benzyl-[1-(2-piperidin-4-ylethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[benzyl-[1-[2-(4-piperidyl)ethyl]pyrazole-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N(CC2=CC=CC=C2)C(=O)C3=CN(N=C3)CCC4CCNCC4

Isomeric SMILES

C1CC(CCC1C(=O)O)N(CC2=CC=CC=C2)C(=O)C3=CN(N=C3)CCC4CCNCC4

InChI

InChI=1S/C25H34N4O3/c30-24(22-16-27-28(18-22)15-12-19-10-13-26-14-11-19)29(17-20-4-2-1-3-5-20)23-8-6-21(7-9-23)25(31)32/h1-5,16,18-19,21,23,26H,6-15,17H2,(H,31,32)