ethanedioic acid; 7-[(4-fluorophenyl)-imidazol-1-yl-methyl]-5-phenyl-imidazo[1,2-a]quinoline

Systemtic Name: ethanedioic acid; 7-[(4-fluorophenyl)-imidazol-1-yl-methyl]-5-phenyl-imidazo[1,2-a]quinoline Openeye Name: 7-[(4-fluorophenyl)-imidazol-1-yl-methyl]-5-phenyl-imidazo[1,2-a]quinoline; oxalic acid CAS Name: 7-[(4-fluorophenyl)-(1-imidazolyl)methyl]-5-phenylimidazo[1,2-a]quinoline; oxalic acid IUPAC Name: 7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline; oxalic acid Traditional Name: 7-[(4-fluorophenyl)-imidazol-1-yl-methyl]-5-phenyl-imidazo[1,2-a]quinoline; oxalic acid Formula: C60H44F2N8O12 MolecularWeight: 1107.034566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=NC=CN3C4=C2C=C(C=C4)C(C5=CC=C(C=C5)F)N6C=CN=C6.C1=CC=C(C=C1)C2=CC3=NC=CN3C4=C2C=C(C=C4)C(C5=CC=C(C=C5)F)N6C=CN=C6.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=NC=CN3C4=C2C=C(C=C4)C(C5=CC=C(C=C5)F)N6C=CN=C6.C1=CC=C(C=C1)C2=CC3=NC=CN3C4=C2C=C(C=C4)C(C5=CC=C(C=C5)F)N6C=CN=C6.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/2C27H19FN4.3C2H2O4/c2*28-22-9-6-20(7-10-22)27(31-14-12-29-18-31)21-8-11-25-24(16-21)23(19-4-2-1-3-5-19)17-26-30-13-15-32(25)26;3*3-1(4)2(5)6/h2*1-18,27H;3*(H,3,4)(H,5,6)