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

Systemtic Name: tert-butyl 4-[2-(2-chlorophenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-chlorophenyl)-4-(2-pyridylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2-chlorophenyl)-4-[oxo-(2-pyridinylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-chlorophenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2-chlorophenyl)-4-(2-pyridylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H30ClN5O3 MolecularWeight: 496.0011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C26H30ClN5O3/c1-26(2,3)35-25(34)31-14-11-18(12-15-31)23-20(24(33)29-16-19-8-6-7-13-28-19)17-30-32(23)22-10-5-4-9-21(22)27/h4-10,13,17-18H,11-12,14-16H2,1-3H3,(H,29,33)