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

Systemtic Name: tert-butyl 4-[5-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(2,4-dichlorophenyl)-1-(4-methoxybenzoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2,4-dichlorophenyl)-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(2,4-dichlorophenyl)-1-(4-methoxybenzoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2,4-dichlorophenyl)-1-p-anisoyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H29Cl2N3O4 MolecularWeight: 530.44286

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=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C(=C2)C3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H29Cl2N3O4/c1-27(2,3)36-26(34)31-13-11-17(12-14-31)23-16-24(21-10-7-19(28)15-22(21)29)32(30-23)25(33)18-5-8-20(35-4)9-6-18/h5-10,15-17H,11-14H2,1-4H3