ethyl 4-[1-(2-chlorophenyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(2-chlorophenyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(2-chlorophenyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[1-(2-chlorophenyl)-3-(3-chlorophenyl)prop-2-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-chlorophenyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-chlorophenyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H22Cl2N2O2 MolecularWeight: 417.32828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H22Cl2N2O2/c1-2-28-22(27)26-14-12-25(13-15-26)21(19-8-3-4-9-20(19)24)11-10-17-6-5-7-18(23)16-17/h3-9,16,21H,2,12-15H2,1H3