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

Systemtic Name: tert-butyl 4-[5-(2,4-dichlorophenyl)-1-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(2,4-dichlorophenyl)-1-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[1-[anilino(oxo)methyl]-5-(2,4-dichlorophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(2,4-dichlorophenyl)-1-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2,4-dichlorophenyl)-1-(phenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H28Cl2N4O3 MolecularWeight: 515.43152

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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)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C(=C2)C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H28Cl2N4O3/c1-26(2,3)35-25(34)31-13-11-17(12-14-31)22-16-23(20-10-9-18(27)15-21(20)28)32(30-22)24(33)29-19-7-5-4-6-8-19/h4-10,15-17H,11-14H2,1-3H3,(H,29,33)