3-(4-bromophenyl)-1-cyclopropyl-5-[4-(4-ethanoylphenyl)piperazin-1-yl]pentane-1,5-dione

Systemtic Name: 3-(4-bromophenyl)-1-cyclopropyl-5-[4-(4-ethanoylphenyl)piperazin-1-yl]pentane-1,5-dione Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-bromophenyl)-5-cyclopropyl-pentane-1,5-dione CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-3-(4-bromophenyl)-5-cyclopropylpentane-1,5-dione IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-bromophenyl)-5-cyclopropylpentane-1,5-dione Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-3-(4-bromophenyl)-5-cyclopropyl-pentane-1,5-dione Formula: C26H29BrN2O3 MolecularWeight: 497.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(CC(=O)C3CC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(CC(=O)C3CC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H29BrN2O3/c1-18(30)19-6-10-24(11-7-19)28-12-14-29(15-13-28)26(32)17-22(16-25(31)21-2-3-21)20-4-8-23(27)9-5-20/h4-11,21-22H,2-3,12-17H2,1H3