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

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)but-3-yn-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-methyl-prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-chlorophenyl)but-3-yn-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)but-3-yn-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-methyl-prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2/c1-3-22-17(21)20-11-9-19(10-12-20)14(2)7-8-15-5-4-6-16(18)13-15/h4-6,13-14H,3,9-12H2,1-2H3