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

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(p-tolyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(p-tolyl)-4-(2-pyrrolidinoethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H39N5O3/c1-20-7-9-22(10-8-20)32-24(21-11-16-31(17-12-21)26(34)35-27(2,3)4)23(19-29-32)25(33)28-13-18-30-14-5-6-15-30/h7-10,19,21H,5-6,11-18H2,1-4H3,(H,28,33)