tert-butyl 4-[5-[2,3-bis(chloranyl)phenyl]-1-methyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[2,3-bis(chloranyl)phenyl]-1-methyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(2,3-dichlorophenyl)-1-methyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2,3-dichlorophenyl)-1-methyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(2,3-dichlorophenyl)-1-methylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2,3-dichlorophenyl)-1-methyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25Cl2N3O2 MolecularWeight: 410.3374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25Cl2N3O2/c1-20(2,3)27-19(26)25-10-8-13(9-11-25)16-12-17(24(4)23-16)14-6-5-7-15(21)18(14)22/h5-7,12-13H,8-11H2,1-4H3