1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Openeye Name: 1-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione CAS Name: 1-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-4-(3,4-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Traditional Name: 1-[4-(benzofuran-2-carbonyl)piperazino]-4-(3,4-dimethylphenyl)butane-1,4-dione Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C25H26N2O4/c1-17-7-8-19(15-18(17)2)21(28)9-10-24(29)26-11-13-27(14-12-26)25(30)23-16-20-5-3-4-6-22(20)31-23/h3-8,15-16H,9-14H2,1-2H3