tert-butyl 4-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-2-methyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-2-methyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-methyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-methylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-methyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H36ClN5O3 MolecularWeight: 502.04874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(N(N=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(N(N=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H36ClN5O3/c1-18-6-7-20(27)16-22(18)30-12-14-31(15-13-30)24(33)21-17-28-29(5)23(21)19-8-10-32(11-9-19)25(34)35-26(2,3)4/h6-7,16-17,19H,8-15H2,1-5H3