ethyl 4-[1-(3-chlorophenyl)hex-1-yn-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(3-chlorophenyl)hex-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[2-(3-chlorophenyl)ethynyl]butyl]piperazine-1-carboxylate CAS Name: 4-[1-(3-chlorophenyl)hex-1-yn-3-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-chlorophenyl)hex-1-yn-3-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-propyl-prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25ClN2O2 MolecularWeight: 348.867

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H25ClN2O2/c1-3-6-18(10-9-16-7-5-8-17(20)15-16)21-11-13-22(14-12-21)19(23)24-4-2/h5,7-8,15,18H,3-4,6,11-14H2,1-2H3