tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2,6-dimethylphenyl)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,6-dimethylphenyl)-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H39N7O3 MolecularWeight: 545.67576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N7O3/c1-21-8-6-9-22(2)25(21)37-26(23-10-14-36(15-11-23)29(39)40-30(3,4)5)24(20-33-37)27(38)34-16-18-35(19-17-34)28-31-12-7-13-32-28/h6-9,12-13,20,23H,10-11,14-19H2,1-5H3