ethanedioic acid; 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-(2-methylindolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-(2-methylindolin-1-yl)-2-(4-methylpiperazino)ethanone; oxalic acid Formula: C20H27N3O9 MolecularWeight: 453.44308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O.2C2H2O4/c1-13-11-14-5-3-4-6-15(14)19(13)16(20)12-18-9-7-17(2)8-10-18;2*3-1(4)2(5)6/h3-6,13H,7-12H2,1-2H3;2*(H,3,4)(H,5,6)