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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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