ethyl 4-[4-(3-chlorophenyl)-2-methyl-but-3-yn-2-yl]-2-ethyl-piperazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)OCC)C(C)(C)C#CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC1CN(CCN1C(=O)OCC)C(C)(C)C#CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H27ClN2O2/c1-5-18-15-22(12-13-23(18)19(24)25-6-2)20(3,4)11-10-16-8-7-9-17(21)14-16/h7-9,14,18H,5-6,12-13,15H2,1-4H3