ethanedioic acid; 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]isoindole-1,3-dione

Systemtic Name: ethanedioic acid; 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]isoindole-1,3-dione Openeye Name: 2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]isoindoline-1,3-dione; oxalic acid CAS Name: 2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]isoindole-1,3-dione; oxalic acid IUPAC Name: 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]isoindole-1,3-dione; oxalic acid Traditional Name: 2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]isoindoline-1,3-quinone; oxalic acid Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21N3O2.C2H2O4/c1-24-10-8-14(9-11-24)19-13-23-20-7-6-15(12-18(19)20)25-21(26)16-4-2-3-5-17(16)22(25)27;3-1(4)2(5)6/h2-7,12-14,23H,8-11H2,1H3;(H,3,4)(H,5,6)