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

Systemtic Name: 2-[4-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(4-benzoylpiperazin-1-yl)-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(4-benzoyl-1-piperazinyl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(4-benzoylpiperazino)-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H25N3O4 MolecularWeight: 455.5051

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4/c31-23(28-15-17-29(18-16-28)25(32)20-7-2-1-3-8-20)13-6-14-30-26(33)21-11-4-9-19-10-5-12-22(24(19)21)27(30)34/h1-5,7-12H,6,13-18H2