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

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3,4-dimethylphenyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H40N6O3 MolecularWeight: 544.6877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N6O3/c1-22-9-10-25(20-23(22)2)37-28(24-11-14-36(15-12-24)30(39)40-31(3,4)5)26(21-33-37)29(38)35-18-16-34(17-19-35)27-8-6-7-13-32-27/h6-10,13,20-21,24H,11-12,14-19H2,1-5H3