tert-butyl 4-[2-(4-methylphenyl)-4-(2-piperidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-(2-piperidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(1-piperidyl)ethylcarbamoyl]-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[oxo-[2-(1-piperidinyl)ethylamino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-(2-piperidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-piperidinoethylcarbamoyl)-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H41N5O3 MolecularWeight: 495.65684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H41N5O3/c1-21-8-10-23(11-9-21)33-25(22-12-17-32(18-13-22)27(35)36-28(2,3)4)24(20-30-33)26(34)29-14-19-31-15-6-5-7-16-31/h8-11,20,22H,5-7,12-19H2,1-4H3,(H,29,34)