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

Systemtic Name: tert-butyl 4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31ClFN3O3 MolecularWeight: 439.951243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H31ClFN3O3/c1-22(2,3)30-21(29)27-8-6-16(7-9-27)20(28)26-12-10-25(11-13-26)15-17-4-5-18(24)14-19(17)23/h4-5,14,16H,6-13,15H2,1-3H3