tert-butyl 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H23Cl2N3O2 MolecularWeight: 396.31082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H23Cl2N3O2/c1-19(2,3)26-18(25)24-8-6-12(7-9-24)16-11-17(23-22-16)14-5-4-13(20)10-15(14)21/h4-5,10-12H,6-9H2,1-3H3,(H,22,23)