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

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-(3,4-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-(3,4-dimethylphenyl)butane-1,4-dione Formula: C23H27ClN2O2 MolecularWeight: 398.92568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O2/c1-16-4-6-19(14-18(16)3)22(27)8-9-23(28)26-12-10-25(11-13-26)21-15-20(24)7-5-17(21)2/h4-7,14-15H,8-13H2,1-3H3