tert-butyl 4-[3-(4-chlorophenyl)-3-pyridin-2-yl-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-chlorophenyl)-3-pyridin-2-yl-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-chlorophenyl)-3-(2-pyridyl)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-chlorophenyl)-3-(2-pyridinyl)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-chlorophenyl)-3-(2-pyridyl)propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H30ClN3O2 MolecularWeight: 415.9562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C23H30ClN3O2/c1-23(2,3)29-22(28)27-16-14-26(15-17-27)13-11-20(21-6-4-5-12-25-21)18-7-9-19(24)10-8-18/h4-10,12,20H,11,13-17H2,1-3H3