3-[3-[4-(3-azanylpropyl)piperazin-1-yl]propylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[3-[4-(3-azanylpropyl)piperazin-1-yl]propylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[3-[4-(3-aminopropyl)-1-piperazinyl]propylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[3-[4-(3-aminopropyl)piperazino]propylamino]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C22H30N6O2 MolecularWeight: 410.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN)CCCNC2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCN)CCCNC2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H30N6O2/c23-7-3-9-27-11-13-28(14-12-27)10-4-8-24-20-19(21(29)26-22(20)30)17-15-25-18-6-2-1-5-16(17)18/h1-2,5-6,15,25H,3-4,7-14,23H2,(H2,24,26,29,30)