2-[6-fluoranyl-3-(4-methoxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[6-fluoranyl-3-(4-methoxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[6-fluoro-3-(4-methoxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[6-fluoro-3-(4-methoxyphenyl)-5-benzotriazolyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[6-fluoro-3-(4-methoxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[6-fluoro-3-(4-methoxyphenyl)benzotriazol-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC(=C(C=C3N=N2)F)N4C(=O)C5CCCCC5C4=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC(=C(C=C3N=N2)F)N4C(=O)C5CCCCC5C4=O

InChI

InChI=1S/C21H19FN4O3/c1-29-13-8-6-12(7-9-13)26-19-11-18(16(22)10-17(19)23-24-26)25-20(27)14-4-2-3-5-15(14)21(25)28/h6-11,14-15H,2-5H2,1H3