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

Systemtic Name: pentyl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C21H29ClN2O2 MolecularWeight: 376.92016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1CCN(CC1)C(CC)C#CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCOC(=O)N1CCN(CC1)C(CC)C#CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H29ClN2O2/c1-3-5-6-16-26-21(25)24-14-12-23(13-15-24)20(4-2)11-10-18-8-7-9-19(22)17-18/h7-9,17,20H,3-6,12-16H2,1-2H3