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Isoindolines
Description:
Heterocyclic compounds containing a 2,3-dihydro-1H-iso-indole moiety.
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(S)-3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2，6-dioneCas Number: 202271-91-8IUPAC Name: (3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dioneSMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NInChIKey: GOTYRUGSSMKFNF-JTQLQIEISA-NInChI: InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1 -
tert-Butyl 5-bromo-1-oxoisoindoline-2-carboxylateCas Number: 864866-80-8 Compound CID: 23158154Formula: C13H14BrNO3 Molecular Weight: 312.17IUPAC Name: tert-butyl 6-bromo-3-oxo-1H-isoindole-2-carboxylateSMILES: CC(C)(C)OC(=O)N1CC2=C(C1=O)C=CC(=C2)BrInChIKey: AYNRRKAUKGRPMZ-UHFFFAOYSA-NInChI: InChI=1S/C13H14BrNO3/c1-13(2,3)18-12(17)15-7-8-6-9(14)4-5-10(8)11(15)16/h4-6H,7H2,1-3H3
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[Dimethylamino-[(3，5-dioxo-4-azatricyclo[5.2.1.02，6]dec-8-en-4-yl)oxy]methylidene]-dimethylazaniumCas Number: 125700-72-3 Compound CID: 4549259Formula: C14H20N3O3+ Molecular Weight: 278.33IUPAC Name: [dimethylamino-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)oxy]methylidene]-dimethylazaniumSMILES: CN(C)C(=[N+](C)C)ON1C(=O)C2C3CC(C2C1=O)C=C3InChIKey: GPBNVFDFVXCHMV-UHFFFAOYSA-NInChI: InChI=1S/C14H20N3O3/c1-15(2)14(16(3)4)20-17-12(18)10-8-5-6-9(7-8)11(10)13(17)19/h5-6,8-11H,7H2,1-4H3/q+1
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7-Methylisoindolin-1-oneCas Number: 65399-02-2 Compound CID: 22064716Formula: C9H9NO Molecular Weight: 147.17IUPAC Name: 7-methyl-2,3-dihydroisoindol-1-oneSMILES: CC1=C2C(=CC=C1)CNC2=OInChIKey: QUTSDZPSPCZXQP-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO/c1-6-3-2-4-7-5-10-9(11)8(6)7/h2-4H,5H2,1H3,(H,10,11)
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7-Methoxyisoindolin-1-oneCas Number: 934389-18-1 Compound CID: 55265626Formula: C9H9NO2 Molecular Weight: 163.17IUPAC Name: 7-methoxy-2,3-dihydroisoindol-1-oneSMILES: COC1=CC=CC2=C1C(=O)NC2InChIKey: JHEBWQWNBLZBSG-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO2/c1-12-7-4-2-3-6-5-10-9(11)8(6)7/h2-4H,5H2,1H3,(H,10,11)
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7-Iodoisoindolin-1-oneCas Number: 866766-96-3 Compound CID: 46911889Formula: C8H6INO Molecular Weight: 259.05IUPAC Name: 7-iodo-2,3-dihydroisoindol-1-oneSMILES: C1C2=C(C(=CC=C2)I)C(=O)N1InChIKey: QFKGKJNTMJUXMO-UHFFFAOYSA-NInChI: InChI=1S/C8H6INO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
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7-Hydroxyisoindolin-1-oneCas Number: 1033809-85-6 Compound CID: 55299190Formula: C8H7NO2 Molecular Weight: 149.15IUPAC Name: 7-hydroxy-2,3-dihydroisoindol-1-oneSMILES: C1C2=C(C(=CC=C2)O)C(=O)N1InChIKey: QZKWUFXTQKCDBI-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO2/c10-6-3-1-2-5-4-9-8(11)7(5)6/h1-3,10H,4H2,(H,9,11)
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6-Iodoisoindolin-1-oneCas Number: 675109-30-5 Compound CID: 22220918Formula: C8H6INO Molecular Weight: 259.04IUPAC Name: 6-iodo-2,3-dihydroisoindol-1-oneSMILES: C1C2=C(C=C(C=C2)I)C(=O)N1InChIKey: HWGBKJIBYIUGNE-UHFFFAOYSA-NInChI: InChI=1S/C8H6INO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
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6-HYDROXY-2，3-DIHYDRO-ISOINDOL-1-ONECas Number: 659737-57-2 Compound CID: 11528364Formula: C8H7NO2 Molecular Weight: 149.15IUPAC Name: 6-hydroxy-2,3-dihydroisoindol-1-oneSMILES: C1C2=C(C=C(C=C2)O)C(=O)N1InChIKey: YGEDYDDFFVHFEA-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO2/c10-6-2-1-5-4-9-8(11)7(5)3-6/h1-3,10H,4H2,(H,9,11)
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5，6-Dimethoxyisoindolin-1-oneCas Number: 59084-72-9 Compound CID: 12787225Formula: C10H11NO3 Molecular Weight: 193.2IUPAC Name: 5,6-dimethoxy-2,3-dihydroisoindol-1-oneSMILES: COC1=C(C=C2C(=C1)CNC2=O)OCInChIKey: XEPUCMWDFXRDHK-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO3/c1-13-8-3-6-5-11-10(12)7(6)4-9(8)14-2/h3-4H,5H2,1-2H3,(H,11,12)
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5， 6-Dibromoisoindoline-1， 3-dioneCas Number: 247045-28-9 Compound CID: 68012494Formula: C8H3Br2NO2 Molecular Weight: 304.92IUPAC Name: 5,6-dibromoisoindole-1,3-dioneSMILES: C1=C2C(=CC(=C1Br)Br)C(=O)NC2=OInChIKey: UHWYUWWFPSLKRN-UHFFFAOYSA-NInChI: InChI=1S/C8H3Br2NO2/c9-5-1-3-4(2-6(5)10)8(13)11-7(3)12/h1-2H,(H,11,12,13)
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4，6-Dichloroisoindolin-1-OneCas Number: 74572-30-8 Compound CID: 21162376Formula: C8H5Cl2NO Molecular Weight: 202.03IUPAC Name: 4,6-dichloro-2,3-dihydroisoindol-1-oneSMILES: C1C2=C(C=C(C=C2Cl)Cl)C(=O)N1InChIKey: QQNMVGPIDSWXTK-UHFFFAOYSA-NInChI: InChI=1S/C8H5Cl2NO/c9-4-1-5-6(7(10)2-4)3-11-8(5)12/h1-2H,3H2,(H,11,12)
