5-fluoranyl-2-(3-prop-2-ynylbenzotriazol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-fluoranyl-2-(3-prop-2-ynylbenzotriazol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 5-fluoro-2-(3-prop-2-ynylbenzotriazol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 5-fluoro-2-(3-prop-2-ynyl-5-benzotriazolyl)-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 5-fluoro-2-(3-prop-2-ynylbenzotriazol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 5-fluoro-2-(3-propargylbenzotriazol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C17H13FN4O2 MolecularWeight: 324.309123

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)N3C(=O)C4=C(C3=O)CC(CC4)F)N=N1

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)N3C(=O)C4=C(C3=O)CC(CC4)F)N=N1

InChI

InChI=1S/C17H13FN4O2/c1-2-7-21-15-9-11(4-6-14(15)19-20-21)22-16(23)12-5-3-10(18)8-13(12)17(22)24/h1,4,6,9-10H,3,5,7-8H2