4-fluoranyl-2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione

Systemtic Name: 4-fluoranyl-2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione Openeye Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-fluoro-isoindoline-1,3-dione CAS Name: 4-fluoro-2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione IUPAC Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-fluoroisoindole-1,3-dione Traditional Name: 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-fluoro-isoindoline-1,3-quinone Formula: C17H11FN4O2 MolecularWeight: 322.293243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)N3C(=O)C4=C(C3=O)C(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)N3C(=O)C4=C(C3=O)C(=CC=C4)F

InChI

InChI=1S/C17H11FN4O2/c18-12-8-4-7-11-14(12)16(24)22(15(11)23)17-19-13(20-21-17)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,20,21)