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Isoindoles and derivatives
Description:
Polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring.
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4-(5-Amino-1，3-dioxoisoindolin-2-yl)butanoic acidCas Number: 18595-81-8 Compound CID: 652179Formula: C12H12N2O4 Molecular Weight: 248.238IUPAC Name: 4-(5-amino-1,3-dioxoisoindol-2-yl)butanoic acidSMILES: C1=CC2=C(C=C1N)C(=O)N(C2=O)CCCC(=O)OInChIKey: ABBOMDQYPRXKSK-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O4/c13-7-3-4-8-9(6-7)12(18)14(11(8)17)5-1-2-10(15)16/h3-4,6H,1-2,5,13H2,(H,15,16) -
2-benzyl-1，3-dioxo-2，3-dihydro-1H-isoindole-5-carboxylateCas Number: 67822-75-7 Compound CID: 748193Formula: C16H11NO4 Molecular Weight: 281.26IUPAC Name: 2-benzyl-1,3-dioxoisoindole-5-carboxylic acidSMILES: C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OInChIKey: KGHOAEZOEVGKMU-UHFFFAOYSA-NInChI: InChI=1S/C16H11NO4/c18-14-12-7-6-11(16(20)21)8-13(12)15(19)17(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)
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2-Methylisoindolin-1-oneCas Number: 5342-91-6 Compound CID: 220657Formula: C9H9NO Molecular Weight: 147.17IUPAC Name: 2-methyl-3H-isoindol-1-oneSMILES: CN1CC2=CC=CC=C2C1=OInChIKey: JHMBTUMIVBSJFS-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO/c1-10-6-7-4-2-3-5-8(7)9(10)11/h2-5H,6H2,1H3
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2-Benzyl-5-bromoisoindoline-1，3-dioneCas Number: 82104-06-1 Compound CID: 2259945Formula: C15H10BrNO2 Molecular Weight: 316.15IUPAC Name: 2-benzyl-5-bromoisoindole-1,3-dioneSMILES: C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)BrInChIKey: ONOGZPQVJLPGMR-UHFFFAOYSA-NInChI: InChI=1S/C15H10BrNO2/c16-11-6-7-12-13(8-11)15(19)17(14(12)18)9-10-4-2-1-3-5-10/h1-8H,9H2
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2-BenzylisoindolineCas Number: 35180-14-4 Compound CID: 1402706Formula: C15H15N Molecular Weight: 209.29IUPAC Name: 2-benzyl-1,3-dihydroisoindoleSMILES: C1C2=CC=CC=C2CN1CC3=CC=CC=C3InChIKey: FGTWRFGVFTTZOI-UHFFFAOYSA-NInChI: InChI=1S/C15H15N/c1-2-6-13(7-3-1)10-16-11-14-8-4-5-9-15(14)12-16/h1-9H,10-12H2
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Octahydro-1H-isoindole hydrochlorideCas Number: 6949-87-7Formula: 8H15N·HClIUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochlorideSMILES: C1CCC2CNCC2C1.ClInChIKey: CLQIZUYXKFTUEB-UHFFFAOYSA-NInChI: InChI=1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h7-9H,1-6H2;1H
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N，N-Ethylenebis(tetrabromophthalimide)Cas Number: 32588-76-4 Compound CID: 36183Formula: C18H4Br8N2O4 Molecular Weight: 951.47IUPAC Name: 4,5,6,7-tetrabromo-2-[2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dioneSMILES: C(CN1C(=O)C2=C(C1=O)C(=C(C(=C2Br)Br)Br)Br)N3C(=O)C4=C(C3=O)C(=C(C(=C4Br)Br)Br)BrInChIKey: DYIZJUDNMOIZQO-UHFFFAOYSA-NInChI: InChI=1S/C18H4Br8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2
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N-MethyltetrachlorophthalimideFormula: C9H3Cl4NO2 Molecular Weight: 298.9IUPAC Name: 4,5,6,7-tetrachloro-2-methylisoindole-1,3-dioneSMILES: CN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)ClInChIKey: OHCSZUQRNNNMRG-UHFFFAOYSA-NInChI: InChI=1S/C9H3Cl4NO2/c1-14-8(15)2-3(9(14)16)5(11)7(13)6(12)4(2)10/h1H3
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N-MethoxyphthalimideCas Number: 1914-20-1 Compound CID: 278066Formula: C9H7NO3 Molecular Weight: 177.16IUPAC Name: 2-methoxyisoindole-1,3-dioneSMILES: CON1C(=O)C2=CC=CC=C2C1=OInChIKey: VTULOVFSIMMKKO-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO3/c1-13-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
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Methyl 4-(1，3-dioxoisoindolin-2-yl)butanoateCas Number: 39739-03-2 Compound CID: 303595Formula: C13H13NO4 Molecular Weight: 247.24IUPAC Name: methyl 4-(1,3-dioxoisoindol-2-yl)butanoateSMILES: COC(=O)CCCN1C(=O)C2=CC=CC=C2C1=OInChIKey: XZGSPVJYILSEIY-UHFFFAOYSA-NInChI: InChI=1S/C13H13NO4/c1-18-11(15)7-4-8-14-12(16)9-5-2-3-6-10(9)13(14)17/h2-3,5-6H,4,7-8H2,1H3
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5-tert-butylisoindoline-1，3-dioneCas Number: 50727-07-6 Compound CID: 604763IUPAC Name: 5-tert-butylisoindole-1,3-dioneSMILES: CC(C)(C)C1=CC2=C(C=C1)C(=O)NC2=OInChIKey: MQAXXSNRKXXVON-UHFFFAOYSA-NInChI: InChI=1S/C12H13NO2/c1-12(2,3)7-4-5-8-9(6-7)11(15)13-10(8)14/h4-6H,1-3H3,(H,13,14,15)
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5-Chloroisoindoline-1，3-dioneCas Number: 7147-90-2 Compound CID: 231239Formula: C8H4ClNO2 Molecular Weight: 181.58IUPAC Name: 5-chloroisoindole-1,3-dioneSMILES: C1=CC2=C(C=C1Cl)C(=O)NC2=OInChIKey: BGJNRQSGJHVURK-UHFFFAOYSA-NInChI: InChI=1S/C8H4ClNO2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
