tert-butyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32ClN3O3 MolecularWeight: 421.96078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32ClN3O3/c1-16-5-6-18(23)15-19(16)24-11-13-25(14-12-24)20(27)17-7-9-26(10-8-17)21(28)29-22(2,3)4/h5-6,15,17H,7-14H2,1-4H3