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

Systemtic Name: tert-butyl 4-[4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-2-(4-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(4-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-bromo-3-methylanilino)-oxomethyl]-2-(4-chlorophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-bromo-3-methylphenyl)carbamoyl]-2-(4-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(4-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H30BrClN4O3 MolecularWeight: 573.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C27H30BrClN4O3/c1-17-15-20(7-10-23(17)28)31-25(34)22-16-30-33(21-8-5-19(29)6-9-21)24(22)18-11-13-32(14-12-18)26(35)36-27(2,3)4/h5-10,15-16,18H,11-14H2,1-4H3,(H,31,34)