tert-butyl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(3-chlorophenyl)-1-ethyl-prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-ethyl-prop-2-ynyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27ClN2O2 MolecularWeight: 362.89358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27ClN2O2/c1-5-18(10-9-16-7-6-8-17(21)15-16)22-11-13-23(14-12-22)19(24)25-20(2,3)4/h6-8,15,18H,5,11-14H2,1-4H3