2-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(4-methyl-1-piperazinyl)propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(4-methylpiperazin-1-yl)propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(4-methylpiperazino)propyl]-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-21-8-10-22(11-9-21)6-3-7-23-19(25)16-5-2-4-14-12-15(24(27)28)13-17(18(14)16)20(23)26/h2,4-5,12-13H,3,6-11H2,1H3