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

Systemtic Name: methyl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H21ClN2O2 MolecularWeight: 320.81384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2/c1-3-16(8-7-14-5-4-6-15(18)13-14)19-9-11-20(12-10-19)17(21)22-2/h4-6,13,16H,3,9-12H2,1-2H3