 | | V4N | | Name: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate | | Formula: | C14 H8 Cl N O5 | | SMILES: | [O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2 | | InChi: | InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate |
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 | | TK2 | | Name: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine | | Formula: | C30 H30 N4 O | | SMILES: | Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5 | | InChi: | InChI=1S/C30H30N4O/c1-22-25(13-8-14-27(22)24-11-6-3-7-12-24)21-35-26-15-16-29-33-28(19-31)30(34(29)20-26)32-18-17-23-9-4-2-5-10-23/h2-16,20,32H,17-19,21,31H2,1H3 | | Definition date: | 2020-12-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine |
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 | | TZH | | Name: | (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate | | Formula: | C12 H14 N O4 | | SMILES: | Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O | | InChi: | InChI=1S/C12H14NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,16)/q+1 | | Definition date: | 2021-01-14 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (2-cyclobutylcarbonyloxy-4-methyl-phenyl)-oxidanyl-oxidanylidene-azanium |
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 | | TZW | | Name: | 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde | | Formula: | C12 H14 N2 O4 | | SMILES: | OC1CCN(CC1)c2cc(C=O)ccc2[N](=O)=O | | InChi: | InChI=1S/C12H14N2O4/c15-8-9-1-2-11(14(17)18)12(7-9)13-5-3-10(16)4-6-13/h1-2,7-8,10,16H,3-6H2 | | Definition date: | 2021-01-15 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde |
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 | | QRE | | Name: | 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid | | Formula: | C27 H26 N2 O7 S | | SMILES: | OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O | | InChi: | InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37) | | Definition date: | 2020-07-29 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid |
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 | | QRH | | Name: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide | | Formula: | C36 H38 N O3 P | | SMILES: | O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4 | | InChi: | InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+ | | Definition date: | 2020-07-29 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide |
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 | | UST | | Name: | 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde | | Formula: | C15 H13 N O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23 | | InChi: | InChI=1S/C15H13NO3S/c17-11-12-5-7-14(8-6-12)20(18,19)16-10-9-13-3-1-2-4-15(13)16/h1-8,11H,9-10H2 | | Definition date: | 2021-03-15 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde |
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 | | USW | | Name: | 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde | | Formula: | C15 H12 Cl N O4 S | | SMILES: | Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2 | | Definition date: | 2021-03-15 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
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 | | WMA | | Name: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione | | Formula: | C15 H17 N3 O2 | | SMILES: | n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2 | | InChi: | InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
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 | | UT8 | | Name: | 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde | | Formula: | C16 H15 N O5 S | | SMILES: | COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3 | | Definition date: | 2021-03-17 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
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 | | U1B | | Name: | 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde | | Formula: | C12 H14 N2 O4 | | SMILES: | O[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O | | InChi: | InChI=1S/C12H14N2O4/c15-8-9-3-4-11(14(17)18)12(6-9)13-5-1-2-10(16)7-13/h3-4,6,8,10,16H,1-2,5,7H2/t10-/m0/s1 | | Synonyms: | 4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde | | Definition date: | 2021-01-17 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde |
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 | | UGE | | Name: | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde | | Formula: | C16 H15 N O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23 | | InChi: | InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2 | | Definition date: | 2021-02-16 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde |
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 | | UGN | | Name: | 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine | | Formula: | C15 H24 N2 O2 S | | SMILES: | CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3 | | Definition date: | 2021-02-17 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine |
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 | | UVB | | Name: | 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde | | Formula: | C12 H15 N O4 S | | SMILES: | O[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C12H15NO4S/c14-9-10-3-5-12(6-4-10)18(16,17)13-7-1-2-11(15)8-13/h3-6,9,11,15H,1-2,7-8H2/t11-/m0/s1 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde |
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 | | UHQ | | Name: | 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde | | Formula: | C14 H20 N2 O3 S | | SMILES: | CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3 | | Definition date: | 2021-02-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde |
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 | | UVE | | Name: | 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde | | Formula: | C15 H13 N O4 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23 | | InChi: | InChI=1S/C15H13NO4S/c17-11-12-5-7-13(8-6-12)21(18,19)16-9-10-20-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde |
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 | | UHT | | Name: | ~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide | | Formula: | C14 H19 N O3 S | | SMILES: | CN(C1CCCCC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H19NO3S/c1-15(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-16)8-10-14/h7-11,13H,2-6H2,1H3 | | Definition date: | 2021-02-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | ~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide |
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 | | UVH | | Name: | 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde | | Formula: | C14 H20 N2 O3 S | | SMILES: | CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H20N2O3S/c1-12(2)15-7-9-16(10-8-15)20(18,19)14-5-3-13(11-17)4-6-14/h3-6,11-12H,7-10H2,1-2H3 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde |
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 | | UHW | | Name: | 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde | | Formula: | C12 H16 N2 O3 S | | SMILES: | CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3 | | Definition date: | 2021-02-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde |
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 | | UVK | | Name: | 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde | | Formula: | C15 H12 F N O4 S | | SMILES: | Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C15H12FNO4S/c16-12-3-6-15-14(9-12)17(7-8-21-15)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
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 | | X5M | | Name: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one | | Formula: | C15 H21 N4 O3 | | SMILES: | CCN(CC)c1ccc(cc1[N](O)=O)C2=NNC(=O)C[CH]2C | | InChi: | InChI=1S/C15H21N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,21,22)/t10-/m1/s1 | | Definition date: | 2020-12-01 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one |
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 | | UVQ | | Name: | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde | | Formula: | C16 H14 F N O3 S | | SMILES: | Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
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 | | UVT | | Name: | 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde | | Formula: | C12 H15 N O3 S | | SMILES: | C[CH]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C12H15NO3S/c1-10-3-2-8-13(10)17(15,16)12-6-4-11(9-14)5-7-12/h4-7,9-10H,2-3,8H2,1H3/t10-/m0/s1 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde |
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 | | W6X | | Name: | 1,1,1-tris(fluoranyl)propan-2-one | | Formula: | C3 H3 F3 O | | SMILES: | CC(=O)C(F)(F)F | | InChi: | InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3 | | Definition date: | 2020-06-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 1,1,1-tris(fluoranyl)propan-2-one |
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 | | UVZ | | Name: | 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde | | Formula: | C16 H14 Cl N O3 S | | SMILES: | Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H14ClNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
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