(E)-but-2-enedioic acid; 6-fluoranyl-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one

Systemtic Name: (E)-but-2-enedioic acid; 6-fluoranyl-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one Openeye Name: 6-fluoro-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-fluoro-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one IUPAC Name: (E)-but-2-enedioic acid; 6-fluoro-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one Traditional Name: 6-fluoro-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; fumaric acid Formula: C22H22FN3O5 MolecularWeight: 427.425583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=C(N3C)C=CC(=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=C(N3C)C=CC(=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18FN3O.C4H4O4/c1-10-14(21-9-20-10)7-11-3-5-16-17(18(11)23)13-8-12(19)4-6-15(13)22(16)2;5-3(6)1-2-4(7)8/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+