3-(1H-indol-3-yl)-4-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[3-(4-methylpiperazin-1-yl)-1-isoquinolyl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[3-(4-methyl-1-piperazinyl)-1-isoquinolinyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[3-(4-methylpiperazino)-1-isoquinolyl]-3-pyrroline-2,5-quinone Formula: C26H23N5O2 MolecularWeight: 437.49312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CN1CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C26H23N5O2/c1-30-10-12-31(13-11-30)21-14-16-6-2-3-7-17(16)24(28-21)23-22(25(32)29-26(23)33)19-15-27-20-9-5-4-8-18(19)20/h2-9,14-15,27H,10-13H2,1H3,(H,29,32,33)