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

Systemtic Name: tert-butyl 4-[2-(4-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methoxyphenyl)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-methoxyphenyl)-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H37N7O4 MolecularWeight: 547.64858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C29H37N7O4/c1-29(2,3)40-28(38)35-14-10-21(11-15-35)25-24(20-32-36(25)22-6-8-23(39-4)9-7-22)26(37)33-16-18-34(19-17-33)27-30-12-5-13-31-27/h5-9,12-13,20-21H,10-11,14-19H2,1-4H3