6-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2,3-dihydropyrrolo[3,4-f]benzotriazole-4,5,7,8-tetrone

Systemtic Name: 6-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2,3-dihydropyrrolo[3,4-f]benzotriazole-4,5,7,8-tetrone Openeye Name: 1-benzyl-6-[(4-fluorophenyl)methyl]-2,3-dihydropyrrolo[3,4-f]benzotriazole-4,5,7,8-tetrone CAS Name: 6-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2,3-dihydropyrrolo[3,4-f]benzotriazole-4,5,7,8-tetrone IUPAC Name: 1-benzyl-6-[(4-fluorophenyl)methyl]-2,3-dihydropyrrolo[3,4-f]benzotriazole-4,5,7,8-tetrone Traditional Name: 1-benzyl-6-(4-fluorobenzyl)-2,3-dihydropyrrolo[3,4-f]benzotriazole-4,5,7,8-diquinone Formula: C22H15FN4O4 MolecularWeight: 418.377303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)C4=C(C3=O)C(=O)N(C4=O)CC5=CC=C(C=C5)F)NN2

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)C4=C(C3=O)C(=O)N(C4=O)CC5=CC=C(C=C5)F)NN2

InChI

InChI=1S/C22H15FN4O4/c23-14-8-6-13(7-9-14)10-26-21(30)15-16(22(26)31)20(29)18-17(19(15)28)24-25-27(18)11-12-4-2-1-3-5-12/h1-9,24-25H,10-11H2