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

Systemtic Name: tert-butyl 4-[4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-bromo-3-methylanilino)-oxomethyl]-2-(3,4-dimethylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-bromo-3-methylphenyl)carbamoyl]-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35BrN4O3 MolecularWeight: 567.5172

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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)C

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)C

InChI

InChI=1S/C29H35BrN4O3/c1-18-7-9-23(16-19(18)2)34-26(21-11-13-33(14-12-21)28(36)37-29(4,5)6)24(17-31-34)27(35)32-22-8-10-25(30)20(3)15-22/h7-10,15-17,21H,11-14H2,1-6H3,(H,32,35)