2-(3-morpholin-4-ylpropyl)-6-(3-morpholin-4-ylpropylamino)-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3-morpholin-4-ylpropyl)-6-(3-morpholin-4-ylpropylamino)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3-morpholinopropyl)-6-(3-morpholinopropylamino)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(4-morpholinyl)propyl]-6-[3-(4-morpholinyl)propylamino]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-morpholin-4-ylpropyl)-6-(3-morpholin-4-ylpropylamino)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3-morpholinopropyl)-6-(3-morpholinopropylamino)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C26H33N5O6 MolecularWeight: 511.57012

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCCN5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCCN5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O6/c32-25-20-5-1-4-19-23(20)21(26(33)30(25)9-3-8-29-12-16-37-17-13-29)18-22(31(34)35)24(19)27-6-2-7-28-10-14-36-15-11-28/h1,4-5,18,27H,2-3,6-17H2