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

Systemtic Name: ethyl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H23ClN2O2 MolecularWeight: 334.84042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O2/c1-3-17(9-8-15-6-5-7-16(19)14-15)20-10-12-21(13-11-20)18(22)23-4-2/h5-7,14,17H,3-4,10-13H2,1-2H3