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

Systemtic Name: phenyl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C22H23ClN2O2 MolecularWeight: 382.88322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN2O2/c1-2-20(12-11-18-7-6-8-19(23)17-18)24-13-15-25(16-14-24)22(26)27-21-9-4-3-5-10-21/h3-10,17,20H,2,13-16H2,1H3