 | | ZKU | | Name: | 4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide | | Formula: | C15 H16 N4 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1 | | InChi: | InChI=1S/C15H16N4O3/c20-14(12-4-3-11-22-12)18-7-9-19(10-8-18)15(21)17-13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,16,17,21) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide |
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 | | ZKZ | | Name: | N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide | | Formula: | C18 H21 N3 O4 | | SMILES: | CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc2)o1 | | InChi: | InChI=1S/C18H21N3O4/c1-19-18(23)21-11-9-20(10-12-21)17(22)16-8-7-15(25-16)13-24-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,19,23) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide |
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 | | ZL3 | | Name: | (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide | | Formula: | C14 H21 N3 O3 | | SMILES: | O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1 | | InChi: | InChI=1S/C14H21N3O3/c1-10(2)15-14(19)16-6-7-17(11(3)9-16)13(18)12-5-4-8-20-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide |
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 | | ZL8 | | Name: | 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide | | Formula: | C23 H27 Cl N4 O3 S | | SMILES: | Clc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N1CCc2sccc2C1 | | InChi: | InChI=1S/C23H27ClN4O3S/c24-19-4-1-3-17(15-19)22(30)26-9-2-10-27(13-12-26)23(31)25-8-5-21(29)28-11-6-20-18(16-28)7-14-32-20/h1,3-4,7,14-15H,2,5-6,8-13,16H2,(H,25,31) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide |
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 | | ZLC | | Name: | 4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide | | Formula: | C16 H19 N3 O3 S | | SMILES: | O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o1 | | InChi: | InChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide |
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 | | ZLH | | Name: | (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide | | Formula: | C15 H21 N3 O3 | | SMILES: | O=C(N1CCN(C(=O)NCC2CC2)C(C)C1)c1ccco1 | | InChi: | InChI=1S/C15H21N3O3/c1-11-10-17(14(19)13-3-2-8-21-13)6-7-18(11)15(20)16-9-12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,16,20)/t11-/m0/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide |
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 | | UHI | | Name: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one | | Formula: | C21 H21 N O4 S | | SMILES: | CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c(OCC2CC2)cc1 | | InChi: | InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3 | | Synonyms: | Trotabresib | | Definition date: | 2022-08-18 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one |
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 | | ZLW | | Name: | N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C12 H18 N4 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)NCCN)c1ccco1 | | InChi: | InChI=1S/C12H18N4O3/c13-3-4-14-12(18)16-7-5-15(6-8-16)11(17)10-2-1-9-19-10/h1-2,9H,3-8,13H2,(H,14,18) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | ZM0 | | Name: | 4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide | | Formula: | C19 H27 N3 O2 S2 | | SMILES: | CC(C)(C)C(C)CNC(=O)N1CCN(CC1)C(=O)c1cc2sccc2s1 | | InChi: | InChI=1S/C19H27N3O2S2/c1-13(19(2,3)4)12-20-18(24)22-8-6-21(7-9-22)17(23)16-11-15-14(26-16)5-10-25-15/h5,10-11,13H,6-9,12H2,1-4H3,(H,20,24)/t13-/m1/s1 | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide |
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 | | ZM6 | | Name: | N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide | | Formula: | C16 H19 Cl2 N3 O2 | | SMILES: | O=C(NCC1CC1)N1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1 | | InChi: | InChI=1S/C16H19Cl2N3O2/c17-13-4-3-12(9-14(13)18)15(22)20-5-7-21(8-6-20)16(23)19-10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23) | | Definition date: | 2023-03-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide |
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 | | ZMN | | Name: | 4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide | | Formula: | C20 H24 Br N3 O4 | | SMILES: | O=C(N1CCN(CC1)C(=O)NCCCOc1cc(C)ccc1)c1ccc(Br)o1 | | InChi: | InChI=1S/C20H24BrN3O4/c1-15-4-2-5-16(14-15)27-13-3-8-22-20(26)24-11-9-23(10-12-24)19(25)17-6-7-18(21)28-17/h2,4-7,14H,3,8-13H2,1H3,(H,22,26) | | Definition date: | 2023-03-16 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide |
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 | | ZMW | | Name: | N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide | | Formula: | C17 H19 N3 O3 | | SMILES: | O=C(N1CCN(CC1)C(=O)NCc1ccccc1)c1ccco1 | | InChi: | InChI=1S/C17H19N3O3/c21-16(15-7-4-12-23-15)19-8-10-20(11-9-19)17(22)18-13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,22) | | Definition date: | 2023-03-16 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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 | | U59 | | Name: | (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one | | Formula: | C25 H25 F N4 O4 S | | SMILES: | FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OCC3CC3)S(C)(=O)=O)c2c1 | | InChi: | InChI=1S/C25H25FN4O4S/c1-29-13-22(21-12-18(35(2,32)33)6-8-24(21)34-15-16-3-4-16)20-11-17(5-7-19(20)25(29)31)23-14-30(10-9-26)28-27-23/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3 | | Definition date: | 2022-08-05 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one |
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 | | K3I | | Name: | Zeaxanthin | | Formula: | C40 H56 O2 | | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11?,17-13+,18-14?,23-21+,24-22?,29-15+,30-16?,31-19+,32-20?/t35-,36?/m0/s1 | | Synonyms: | zeaxanthin | | Definition date: | 2022-05-18 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
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 | | K3X | | Name: | [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Formula: | C29 H28 F N5 O | | SMILES: | Cc1n2ccc(cc2nc1c3cc4ccccc4n3Cc5ccc(F)cc5)C(=O)N6CCC[CH](N)C6 | | InChi: | InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1 | | Definition date: | 2022-09-07 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone |
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 | | LU3 | | Name: | 1,3-thiazol-2-ylmethanamine | | Formula: | C4 H6 N2 S | | SMILES: | NCc1sccn1 | | InChi: | InChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2 | | Definition date: | 2022-12-08 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 1,3-thiazol-2-ylmethanamine |
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 | | LV0 | | Name: | ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | | Formula: | C21 H21 N3 O3 S | | SMILES: | O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)NCc3sccn3 | | InChi: | InChI=1S/C21H21N3O3S/c25-19(21(27)23-14-18-22-11-12-28-18)17(13-15-7-3-1-4-8-15)24-20(26)16-9-5-2-6-10-16/h1-12,17,19,25H,13-14H2,(H,23,27)(H,24,26)/t17-,19+/m1/s1 | | Definition date: | 2022-12-08 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide |
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 | | LVF | | Name: | 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile | | Formula: | C10 H7 Cl N2 | | SMILES: | Clc1ccc2[nH]cc(CC#N)c2c1 | | InChi: | InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2 | | Definition date: | 2022-07-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanenitrile |
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 | | LVU | | Name: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile | | Formula: | C9 H5 Br2 N3 | | SMILES: | Brc1cc2[nH]nc(CC#N)c2cc1Br | | InChi: | InChI=1S/C9H5Br2N3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14) | | Definition date: | 2022-07-14 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-[5,6-bis(bromanyl)-1~{H}-indazol-3-yl]ethanenitrile |
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 | | LVX | | Name: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide | | Formula: | C25 H32 F2 N4 O5 S | | SMILES: | COC[CH](NC(=O)[CH]1CCCC(F)(F)C1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)NCc3sccn3 | | InChi: | InChI=1S/C25H32F2N4O5S/c1-36-15-19(31-22(33)17-8-5-9-25(26,27)13-17)23(34)30-18(12-16-6-3-2-4-7-16)21(32)24(35)29-14-20-28-10-11-37-20/h2-4,6-7,10-11,17-19,21,32H,5,8-9,12-15H2,1H3,(H,29,35)(H,30,34)(H,31,33)/t17-,18-,19-,21+/m1/s1 | | Definition date: | 2022-12-08 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide |
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 | | LWF | | Name: | (1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid | | Formula: | C7 H10 F2 O2 | | SMILES: | OC(=O)[CH]1CCCC(F)(F)C1 | | InChi: | InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(4-7)6(10)11/h5H,1-4H2,(H,10,11)/t5-/m1/s1 | | Definition date: | 2022-12-08 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | (1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid |
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 | | MXO | | Name: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide | | Formula: | C18 H20 N6 O3 S | | SMILES: | O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C18H20N6O3S/c1-28(26,27)22-15-4-2-14(3-5-15)12-18(25)24-10-8-23(9-11-24)17-7-6-16(13-19)20-21-17/h2-7,22H,8-12H2,1H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide |
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 | | MXW | | Name: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide | | Formula: | C17 H20 Cl N5 O3 S | | SMILES: | O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C17H20ClN5O3S/c1-27(25,26)21-14-4-2-13(3-5-14)12-17(24)23-10-8-22(9-11-23)16-7-6-15(18)19-20-16/h2-7,21H,8-12H2,1H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide |
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 | | MZI | | Name: | 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate | | Formula: | C20 H22 Cl N5 O4 | | SMILES: | O=C(Cc1ccc(NC(=O)COC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C20H22ClN5O4/c1-14(27)30-13-19(28)22-16-4-2-15(3-5-16)12-20(29)26-10-8-25(9-11-26)18-7-6-17(21)23-24-18/h2-7H,8-13H2,1H3,(H,22,28) | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate |
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 | | N06 | | Name: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one | | Formula: | C18 H22 Cl N5 O | | SMILES: | O=C(Cc1ccc(cc1)N(C)C)N1CCN(CC1)c1ccc(Cl)nn1 | | InChi: | InChI=1S/C18H22ClN5O/c1-22(2)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3 | | Definition date: | 2022-03-22 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one |
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