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

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-4-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-4-(2-pyrrolidinoethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H36ClN5O3 MolecularWeight: 502.04874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NCCN4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NCCN4CCCC4

InChI

InChI=1S/C26H36ClN5O3/c1-26(2,3)35-25(34)31-15-10-19(11-16-31)23-22(24(33)28-12-17-30-13-4-5-14-30)18-29-32(23)21-8-6-20(27)7-9-21/h6-9,18-19H,4-5,10-17H2,1-3H3,(H,28,33)