1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-4-(2,5-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-4-(2,5-dimethylphenyl)butane-1,4-dione Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN2O2/c1-16-6-7-17(2)20(14-16)21(26)8-9-22(27)25-12-10-24(11-13-25)19-5-3-4-18(23)15-19/h3-7,14-15H,8-13H2,1-2H3