(E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoranyl-1,3-dihydroisoindol-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoranyl-1,3-dihydroisoindol-2-amine Openeye Name: N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-isoindolin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydroisoindol-2-amine IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydroisoindol-2-amine Traditional Name: (4-fluoroisoindolin-2-yl)-(2-imidazolin-2-yl)amine; fumaric acid Formula: C15H17FN4O4 MolecularWeight: 336.318283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NN2CC3=C(C2)C(=CC=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)NN2CC3=C(C2)C(=CC=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H13FN4.C4H4O4/c12-10-3-1-2-8-6-16(7-9(8)10)15-11-13-4-5-14-11;5-3(6)1-2-4(7)8/h1-3H,4-7H2,(H2,13,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+