1-(4-bromophenyl)-4-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-bromophenyl)-4-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-bromophenyl)-4-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-bromophenyl)-4-[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-bromophenyl)-4-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-bromophenyl)-4-[4-(3,5-dimethylbenzoyl)piperazino]butane-1,4-dione Formula: C23H25BrN2O3 MolecularWeight: 457.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O3/c1-16-13-17(2)15-19(14-16)23(29)26-11-9-25(10-12-26)22(28)8-7-21(27)18-3-5-20(24)6-4-18/h3-6,13-15H,7-12H2,1-2H3