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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-(4-methylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-phenyl)-4-(4-methylpiperazine-1-carbonyl)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=CC=C1Cl)N2C(=C(C=N2)C(=O)N3CCN(CC3)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)N3CCN(CC3)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

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