tert-butyl 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30ClN3O3 MolecularWeight: 407.9342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN3O3/c1-21(2,3)28-20(27)25-9-7-16(8-10-25)19(26)24-13-11-23(12-14-24)18-6-4-5-17(22)15-18/h4-6,15-16H,7-14H2,1-3H3