1-(4-chlorophenyl)-4-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-chlorophenyl)-4-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-chlorophenyl)-4-[4-(1,1-dimethylprop-2-ynyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-chlorophenyl)-4-[4-(2-methylbut-3-yn-2-yl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-chlorophenyl)-4-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-chlorophenyl)-4-[4-(1,1-dimethylprop-2-ynyl)piperazino]butane-1,4-dione Formula: C19H23ClN2O2 MolecularWeight: 346.85112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)N1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C#C)N1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H23ClN2O2/c1-4-19(2,3)22-13-11-21(12-14-22)18(24)10-9-17(23)15-5-7-16(20)8-6-15/h1,5-8H,9-14H2,2-3H3