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

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

CCC(NN1C(=O)C=C(C1=O)C2=CNC3=CC=CC=C32)N4CCN(CC4)CCCN

Isomeric SMILES

CCC(NN1C(=O)C=C(C1=O)C2=CNC3=CC=CC=C32)N4CCN(CC4)CCCN

InChI

InChI=1S/C22H30N6O2/c1-2-20(27-12-10-26(11-13-27)9-5-8-23)25-28-21(29)14-17(22(28)30)18-15-24-19-7-4-3-6-16(18)19/h3-4,6-7,14-15,20,24-25H,2,5,8-13,23H2,1H3