ethanedioic acid; 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methoxy-3H-isoindol-1-one

Systemtic Name: ethanedioic acid; 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methoxy-3H-isoindol-1-one Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methoxy-isoindolin-1-one; oxalic acid CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-3-methoxy-3H-isoindol-1-one; oxalic acid IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methoxy-3H-isoindol-1-one; oxalic acid Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propyl]-3-methoxy-isoindolin-1-one; oxalic acid Formula: C24H28FN3O6 MolecularWeight: 473.494023

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=CC=CC=C2C(=O)N1CCCN3CCN(CC3)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1C2=CC=CC=C2C(=O)N1CCCN3CCN(CC3)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26FN3O2.C2H2O4/c1-28-22-20-6-3-2-5-19(20)21(27)26(22)12-4-11-24-13-15-25(16-14-24)18-9-7-17(23)8-10-18;3-1(4)2(5)6/h2-3,5-10,22H,4,11-16H2,1H3;(H,3,4)(H,5,6)