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

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(p-tolyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(p-tolyl)-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H37N7O3 MolecularWeight: 531.64918

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H37N7O3/c1-21-6-8-23(9-7-21)36-25(22-10-14-35(15-11-22)28(38)39-29(2,3)4)24(20-32-36)26(37)33-16-18-34(19-17-33)27-30-12-5-13-31-27/h5-9,12-13,20,22H,10-11,14-19H2,1-4H3