methyl 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]isonipecotic acid methyl ester Formula: C24H33N3O2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)CN4CCC(CC4)C(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)CN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H33N3O2/c1-26-16-22(17-27-14-12-21(13-15-27)24(28)29-2)23(25-26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,16,18,21H,3-7,12-15,17H2,1-2H3