ethyl 4-[5-(3-chlorophenyl)-3-cyclopropyl-pent-4-ynyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(3-chlorophenyl)-3-cyclopropyl-pent-4-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(3-chlorophenyl)-3-cyclopropyl-pent-4-ynyl]piperazine-1-carboxylate CAS Name: 4-[5-(3-chlorophenyl)-3-cyclopropylpent-4-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(3-chlorophenyl)-3-cyclopropylpent-4-ynyl]piperazine-1-carboxylate Traditional Name: 4-[5-(3-chlorophenyl)-3-cyclopropyl-pent-4-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27ClN2O2 MolecularWeight: 374.90428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCC(C#CC2=CC(=CC=C2)Cl)C3CC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCC(C#CC2=CC(=CC=C2)Cl)C3CC3

InChI

InChI=1S/C21H27ClN2O2/c1-2-26-21(25)24-14-12-23(13-15-24)11-10-19(18-8-9-18)7-6-17-4-3-5-20(22)16-17/h3-5,16,18-19H,2,8-15H2,1H3