2-[3-[4-azanylbutyl(3-azanylpropyl)amino]propyl]-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-[4-azanylbutyl(3-azanylpropyl)amino]propyl]-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-[4-aminobutyl(3-aminopropyl)amino]propyl]-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[4-aminobutyl(3-aminopropyl)amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-aminobutyl(3-aminopropyl)amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-[4-aminobutyl(3-aminopropyl)amino]propyl]-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCN(CCCCN)CCCN)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCN(CCCCN)CCCN)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4/c23-8-1-2-10-25(11-4-9-24)12-5-13-26-21(28)18-7-3-6-16-14-17(27(30)31)15-19(20(16)18)22(26)29/h3,6-7,14-15H,1-2,4-5,8-13,23-24H2