ethyl 4-[1-(3-chlorophenyl)-4,4-dimethyl-pent-1-yn-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(3-chlorophenyl)-4,4-dimethyl-pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-tert-butyl-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[1-(3-chlorophenyl)-4,4-dimethylpent-1-yn-3-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-chlorophenyl)-4,4-dimethylpent-1-yn-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-tert-butyl-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27ClN2O2 MolecularWeight: 362.89358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O2/c1-5-25-19(24)23-13-11-22(12-14-23)18(20(2,3)4)10-9-16-7-6-8-17(21)15-16/h6-8,15,18H,5,11-14H2,1-4H3