3-(7-methyl-1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)-5-nitro-pyridin-4-yl]pyrrole-2,5-dione

Systemtic Name: 3-(7-methyl-1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)-5-nitro-pyridin-4-yl]pyrrole-2,5-dione Openeye Name: 3-(7-methyl-1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)-5-nitro-4-pyridyl]pyrrole-2,5-dione CAS Name: 3-(7-methyl-1H-indol-3-yl)-4-[2-(4-methyl-1-piperazinyl)-5-nitro-4-pyridinyl]pyrrole-2,5-dione IUPAC Name: 3-(7-methyl-1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)-5-nitropyridin-4-yl]pyrrole-2,5-dione Traditional Name: 3-(7-methyl-1H-indol-3-yl)-4-[2-(4-methylpiperazino)-5-nitro-4-pyridyl]-3-pyrroline-2,5-quinone Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC=C2C3=C(C(=O)NC3=O)C4=CC(=NC=C4[N+](=O)[O-])N5CCN(CC5)C

Isomeric SMILES

CC1=CC=CC2=C1NC=C2C3=C(C(=O)NC3=O)C4=CC(=NC=C4[N+](=O)[O-])N5CCN(CC5)C

InChI

InChI=1S/C23H22N6O4/c1-13-4-3-5-14-16(11-25-21(13)14)20-19(22(30)26-23(20)31)15-10-18(24-12-17(15)29(32)33)28-8-6-27(2)7-9-28/h3-5,10-12,25H,6-9H2,1-2H3,(H,26,30,31)