3-(1-methyl-6-nitro-indol-3-yl)-4-(1-piperidin-4-ylcarbonylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-(1-methyl-6-nitro-indol-3-yl)-4-(1-piperidin-4-ylcarbonylindol-3-yl)pyrrole-2,5-dione Openeye Name: 3-(1-methyl-6-nitro-indol-3-yl)-4-[1-(piperidine-4-carbonyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1-methyl-6-nitro-3-indolyl)-4-[1-[oxo(4-piperidinyl)methyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1-methyl-6-nitroindol-3-yl)-4-[1-(piperidine-4-carbonyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1-isonipecotoylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)[N+](=O)[O-])C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C(=O)C6CCNCC6

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)[N+](=O)[O-])C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C(=O)C6CCNCC6

InChI

InChI=1S/C27H23N5O5/c1-30-13-19(18-7-6-16(32(36)37)12-22(18)30)23-24(26(34)29-25(23)33)20-14-31(21-5-3-2-4-17(20)21)27(35)15-8-10-28-11-9-15/h2-7,12-15,28H,8-11H2,1H3,(H,29,33,34)