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Indoles
Description:
Compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
Ancestors:
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7-Benzyloxyindole-3-carboxaldehydeCas Number: 92855-65-7 Compound CID: 260799Formula: C16H13NO2 Molecular Weight: 251.28IUPAC Name: 7-phenylmethoxy-1H-indole-3-carbaldehydeSMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3C=OInChIKey: RNARWQXZOKWYHY-UHFFFAOYSA-NInChI: InChI=1S/C16H13NO2/c18-10-13-9-17-16-14(13)7-4-8-15(16)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2 -
3-(2-Acetoxyethyl)-1H-indoleCas Number: 13137-14-9Formula: C12H13NO2 Molecular Weight: 203.2371SMILES: CC(=O)OCCC1=CNC2=CC=CC=C21InChIKey: KAWBLROQFPLJEU-UHFFFAOYSA-NInChI: InChI=1S/C12H13NO2/c1-9(14)15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
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4-(2，3，3-Trimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonateCas Number: 54136-26-4 Compound CID: 10447232IUPAC Name: 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonateSMILES: CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)[O-]InChIKey: XTNXDHCAMPMVRG-UHFFFAOYSA-NInChI: InChI=1S/C15H21NO3S/c1-12-15(2,3)13-8-4-5-9-14(13)16(12)10-6-7-11-20(17,18)19/h4-5,8-9H,6-7,10-11H2,1-3H3
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2-(1H-Indol-3-yl)-N，N-dimethylacetamideCas Number: 91566-04-0 Compound CID: 582750Formula: C12H14N2O Molecular Weight: 202.25IUPAC Name: 2-(1H-indol-3-yl)-N,N-dimethylacetamideSMILES: CN(C)C(=O)CC1=CNC2=CC=CC=C21InChIKey: GYOXOOHDSDQLBM-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2O/c1-14(2)12(15)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,7H2,1-2H3
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2-(2-Phenyl-1H-indol-3-yl)acetaldehydeCas Number: 97945-27-2Formula: C16H13NO Molecular Weight: 235.28SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CC=OInChIKey: YFPBRFBNKDLVNJ-UHFFFAOYSA-NInChI: InChI=1S/C16H13NO/c18-11-10-14-13-8-4-5-9-15(13)17-16(14)12-6-2-1-3-7-12/h1-9,11,17H,10H2
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5-methoxy-6-nitro-1H-indoleCas Number: 175913-29-8Formula: C9H8N2O3 Molecular Weight: 192.17SMILES: COC1=C(C=C2C(=C1)C=CN2)[N+](=O)[O-]InChIKey: WDXINEUUEKDULS-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O3/c1-14-9-4-6-2-3-10-7(6)5-8(9)11(12)13/h2-5,10H,1H3
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5-Fluoro-3-(piperazin-1-ylmethyl)-1H-indoleCas Number: 147595-45-7 Compound CID: 15646680Formula: C13H16FN3 Molecular Weight: 233.28IUPAC Name: 5-fluoro-3-(piperazin-1-ylmethyl)-1H-indoleSMILES: C1CN(CCN1)CC2=CNC3=C2C=C(C=C3)FInChIKey: PFOFHPUVOGVDPE-UHFFFAOYSA-NInChI: InChI=1S/C13H16FN3/c14-11-1-2-13-12(7-11)10(8-16-13)9-17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6,9H2
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4-Bromo-7-fluoro-1H-indoleCas Number: 883500-66-1 Compound CID: 3822541Formula: C8H5BrFN Molecular Weight: 214.04IUPAC Name: 4-bromo-7-fluoro-1H-indoleSMILES: C1=CC(=C2C=CNC2=C1F)BrInChIKey: PBQKMEMSAFAVKF-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
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1H-Indole-3-carboxaldehyde， 5-fluoro-7-methyl-Cas Number: 1190321-22-2Formula: C10H8FNO Molecular Weight: 177.175SMILES: CC1=CC(=CC2=C1NC=C2C=O)FInChIKey: JXCXBNDVZPXNPG-UHFFFAOYSA-NInChI: InChI=1S/C10H8FNO/c1-6-2-8(11)3-9-7(5-13)4-12-10(6)9/h2-5,12H,1H3
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1H-Indole， 3-methyl-6-nitro-Cas Number: 133053-76-6 Compound CID: 3358854IUPAC Name: 3-methyl-6-nitro-1H-indoleSMILES: CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-]InChIKey: FXOBRUMCGPOJLL-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O2/c1-6-5-10-9-4-7(11(12)13)2-3-8(6)9/h2-5,10H,1H3
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1-(1H-indol-2-yl)propan-2-oneCas Number: 58352-07-1Formula: C11H11NO Molecular Weight: 173.2111SMILES: CC(=O)CC1=CC2=CC=CC=C2N1InChIKey: WAGPFYGOLZGETK-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO/c1-8(13)6-10-7-9-4-2-3-5-11(9)12-10/h2-5,7,12H,6H2,1H3
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(Z)-3-(1H-Indol-3-yl)acrylonitrileCas Number: 85452-79-5 Compound CID: 15565769Formula: C11H8N2 Molecular Weight: 168.19IUPAC Name: (Z)-3-(1H-indol-3-yl)prop-2-enenitrileSMILES: C1=CC=C2C(=C1)C(=CN2)C=CC#NInChIKey: GQCABHQDRZQIOP-ARJAWSKDSA-NInChI: InChI=1S/C11H8N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,13H/b4-3-
