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

Systemtic Name: tert-butyl 4-[4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-2-(4-propan-2-ylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(4-isopropylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-bromo-3-methylanilino)-oxomethyl]-2-(4-propan-2-ylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-bromo-3-methylphenyl)carbamoyl]-2-(4-propan-2-ylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-p-cumenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H37BrN4O3 MolecularWeight: 581.54378

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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)C(C)C)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)C(C)C)C4CCN(CC4)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C30H37BrN4O3/c1-19(2)21-7-10-24(11-8-21)35-27(22-13-15-34(16-14-22)29(37)38-30(4,5)6)25(18-32-35)28(36)33-23-9-12-26(31)20(3)17-23/h7-12,17-19,22H,13-16H2,1-6H3,(H,33,36)