2-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-[4-(6-nitro-3-pyridyl)piperazino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O5/c31-22(28-14-12-27(13-15-28)18-9-10-21(26-16-18)30(34)35)8-3-11-29-24(32)19-6-1-4-17-5-2-7-20(23(17)19)25(29)33/h1-2,4-7,9-10,16H,3,8,11-15H2