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

Systemtic Name: 2-[4-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-(2-nitrophenyl)-1-piperazinyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-nitrophenyl)piperazino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H24N4O5/c31-23(28-16-14-27(15-17-28)21-10-1-2-11-22(21)30(34)35)12-5-13-29-25(32)19-8-3-6-18-7-4-9-20(24(18)19)26(29)33/h1-4,6-11H,5,12-17H2