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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-phenyl)-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H36ClN7O3 MolecularWeight: 566.09424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)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=C1Cl)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H36ClN7O3/c1-20-23(30)7-5-8-24(20)37-25(21-9-13-36(14-10-21)28(39)40-29(2,3)4)22(19-33-37)26(38)34-15-17-35(18-16-34)27-31-11-6-12-32-27/h5-8,11-12,19,21H,9-10,13-18H2,1-4H3