tert-butyl 4-[4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-2-(3-chloranyl-4-methyl-phenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-2-(3-chloranyl-4-methyl-phenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(3-chloro-4-methyl-phenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-bromo-3-methylanilino)-oxomethyl]-2-(3-chloro-4-methylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-bromo-3-methylphenyl)carbamoyl]-2-(3-chloro-4-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(3-chloro-4-methyl-phenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H32BrClN4O3 MolecularWeight: 587.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=C(C=C3)Br)C)C4CCN(CC4)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=C(C=C3)Br)C)C4CCN(CC4)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C28H32BrClN4O3/c1-17-6-8-21(15-24(17)30)34-25(19-10-12-33(13-11-19)27(36)37-28(3,4)5)22(16-31-34)26(35)32-20-7-9-23(29)18(2)14-20/h6-9,14-16,19H,10-13H2,1-5H3,(H,32,35)