2-methylbutan-2-yl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate

Systemtic Name: 2-methylbutan-2-yl 4-[1-(3-chlorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: 1,1-dimethylpropyl 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 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 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 tert-amyl ester Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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