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

Systemtic Name: methyl 4-[(phenylmethyl)-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]carbonyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[benzyl-[1-[2-(4-piperidyl)ethyl]pyrazole-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[oxo-[1-[2-(4-piperidinyl)ethyl]-4-pyrazolyl]methyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-[1-(2-piperidin-4-ylethyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[benzyl-[1-[2-(4-piperidyl)ethyl]pyrazole-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3=CN(N=C3)CCC4CCNCC4

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3=CN(N=C3)CCC4CCNCC4

InChI

InChI=1S/C26H36N4O3/c1-33-26(32)22-7-9-24(10-8-22)30(18-21-5-3-2-4-6-21)25(31)23-17-28-29(19-23)16-13-20-11-14-27-15-12-20/h2-6,17,19-20,22,24,27H,7-16,18H2,1H3