tert-butyl 4-[2-(2,4-dimethylphenyl)-4-piperidin-1-ylcarbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-piperidin-1-ylcarbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2,4-dimethylphenyl)-4-[oxo(1-piperidinyl)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)N3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)N3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H38N4O3/c1-19-9-10-23(20(2)17-19)31-24(22(18-28-31)25(32)29-13-7-6-8-14-29)21-11-15-30(16-12-21)26(33)34-27(3,4)5/h9-10,17-18,21H,6-8,11-16H2,1-5H3