ethyl 4-[1-(3-chlorophenyl)-5-methyl-hex-1-yn-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(3-chlorophenyl)-5-methyl-hex-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[2-(3-chlorophenyl)ethynyl]-3-methyl-butyl]piperazine-1-carboxylate CAS Name: 4-[1-(3-chlorophenyl)-5-methylhex-1-yn-3-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-chlorophenyl)-5-methylhex-1-yn-3-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-isobutyl-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(CC(C)C)C#CC2=CC(=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O2/c1-4-25-20(24)23-12-10-22(11-13-23)19(14-16(2)3)9-8-17-6-5-7-18(21)15-17/h5-7,15-16,19H,4,10-14H2,1-3H3