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

Systemtic Name: 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-nitro-pyridin-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-nitro-3-pyridyl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[5-(4-methyl-1-piperazinyl)-2-nitro-3-pyridinyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-nitropyridin-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazino)-2-nitro-3-pyridyl]-3-pyrroline-2,5-quinone Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CN=C(C(=C2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CN=C(C(=C2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4/c1-26-6-8-27(9-7-26)13-10-15(20(24-11-13)28(31)32)18-19(22(30)25-21(18)29)16-12-23-17-5-3-2-4-14(16)17/h2-5,10-12,23H,6-9H2,1H3,(H,25,29,30)