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

Systemtic Name: tert-butyl 4-[2-tert-butyl-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-tert-butyl-4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-tert-butyl-4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-tert-butyl-4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-tert-butyl-4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H42ClN5O3 MolecularWeight: 544.12848

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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(C)(C)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(C)(C)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H42ClN5O3/c1-20-8-9-22(30)18-24(20)32-14-16-33(17-15-32)26(36)23-19-31-35(28(2,3)4)25(23)21-10-12-34(13-11-21)27(37)38-29(5,6)7/h8-9,18-19,21H,10-17H2,1-7H3