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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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