2-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[4-(benzofuran-2-carbonyl)piperazino]-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H25N3O5 MolecularWeight: 495.5259

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C29H25N3O5/c33-25(30-14-16-31(17-15-30)29(36)24-18-20-6-1-2-11-23(20)37-24)12-5-13-32-27(34)21-9-3-7-19-8-4-10-22(26(19)21)28(32)35/h1-4,6-11,18H,5,12-17H2