tert-butyl 4-[2-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(p-tolyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(p-tolyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H38N6O3 MolecularWeight: 530.66112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=CC=N4)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H38N6O3/c1-22-8-10-24(11-9-22)36-27(23-12-15-35(16-13-23)29(38)39-30(2,3)4)25(21-32-36)28(37)34-19-17-33(18-20-34)26-7-5-6-14-31-26/h5-11,14,21,23H,12-13,15-20H2,1-4H3