 | | WK2 | | Name: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine | | Formula: | C20 H21 N3 O | | SMILES: | Nc1nc2cc(ccc2c(C)c1)c1ccc2OCCN(C)Cc2c1 | | InChi: | InChI=1S/C20H21N3O/c1-13-9-20(21)22-18-11-15(3-5-17(13)18)14-4-6-19-16(10-14)12-23(2)7-8-24-19/h3-6,9-11H,7-8,12H2,1-2H3,(H2,21,22) | | Definition date: | 2023-10-05 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine |
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 | | A1ACI | | Name: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[(4P)-4-(1H-pyrazol-3-yl)naphthalen-1-yl]methyl}-L-prolinamide | | Formula: | C27 H33 N5 O4 | | SMILES: | CC(C)(C)C(NC(C)=O)C(=O)N1CC(O)CC1C(=O)NCc1ccc(c2cc[NH]n2)c2ccccc12 | | InChi: | InChI=1S/C27H33N5O4/c1-16(33)30-24(27(2,3)4)26(36)32-15-18(34)13-23(32)25(35)28-14-17-9-10-21(22-11-12-29-31-22)20-8-6-5-7-19(17)20/h5-12,18,23-24,34H,13-15H2,1-4H3,(H,28,35)(H,29,31)(H,30,33)/t18-,23+,24-/m1/s1 | | Definition date: | 2024-01-12 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[(4P)-4-(1H-pyrazol-3-yl)naphthalen-1-yl]methyl}-L-prolinamide |
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 | | MIQ | | Name: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione | | Formula: | C17 H17 N3 O5 | | SMILES: | O=C1NC(=O)CCC1N1C(=O)c2cc(ccc2C1=O)N1CCOCC1 | | InChi: | InChI=1S/C17H17N3O5/c21-14-4-3-13(15(22)18-14)20-16(23)11-2-1-10(9-12(11)17(20)24)19-5-7-25-8-6-19/h1-2,9,13H,3-8H2,(H,18,21,22)/t13-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione |
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 | | ZR9 | | Name: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid | | Formula: | C9 H6 N2 O4 | | SMILES: | O=C(O)c1ccc2NC(=O)NC(=O)c2c1 | | InChi: | InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15) | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid |
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 | | YQT | | Name: | 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline | | Formula: | C16 H11 N3 | | SMILES: | [nH]1cc(c2ccncc2)c3cc4ccncc4cc13 | | InChi: | InChI=1S/C16H11N3/c1-4-17-5-2-11(1)15-10-19-16-8-13-9-18-6-3-12(13)7-14(15)16/h1-10,19H | | Definition date: | 2023-12-11 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline |
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 | | YB3 | | Name: | 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline | | Formula: | C21 H21 F N6 | | SMILES: | CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4 | | InChi: | InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline |
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 | | A1H4Y | | Name: | (6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline | | Formula: | C28 H37 N5 O | | SMILES: | CCCCC[CH]1CCc2nc(c(c3[nH]nnn3)c(c2C1)c4ccccc4)C5(CCCC5)COC | | InChi: | InChI=1S/C28H37N5O/c1-3-4-6-11-20-14-15-23-22(18-20)24(21-12-7-5-8-13-21)25(27-30-32-33-31-27)26(29-23)28(19-34-2)16-9-10-17-28/h5,7-8,12-13,20H,3-4,6,9-11,14-19H2,1-2H3,(H,30,31,32,33)/t20-/m0/s1 | | Definition date: | 2024-02-19 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline |
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 | | A1LU8 | | Name: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol | | Formula: | C21 H18 F2 N2 O2 | | SMILES: | Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC4 | | InChi: | InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2 | | Definition date: | 2023-12-15 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol |
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 | | Y4Y | | Name: | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione | | Formula: | C9 H8 N4 O4 | | SMILES: | O=N(=O)c1cc2NC(=O)C(=O)Nc2cc1CN | | InChi: | InChI=1S/C9H8N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,3,10H2,(H,11,14)(H,12,15) | | Definition date: | 2023-01-05 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione |
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 | | XRH | | Name: | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide | | Formula: | C34 H29 Cl2 N7 O4 | | SMILES: | CN(C)C1=NC(=O)N(c2cccc(NC(=O)COc3cccc(c3)N4C(=O)N=C(N(C)C)c5ccc(Cl)cc45)c2)c6cc(Cl)ccc16 | | InChi: | InChI=1S/C34H29Cl2N7O4/c1-40(2)31-26-13-11-20(35)15-28(26)42(33(45)38-31)23-8-5-7-22(17-23)37-30(44)19-47-25-10-6-9-24(18-25)43-29-16-21(36)12-14-27(29)32(41(3)4)39-34(43)46/h5-18H,19H2,1-4H3,(H,37,44) | | Synonyms: | 3-CARBAMIMIDOYL-1-(PYRIDIN-3-YLCARBAMOYLMETHYL)-1H-INDOLE-7-CARBOXYLIC ACID PYRIDIN-3-YLAMIDE | | Definition date: | 2023-12-08 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide |
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 | | U7L | | Name: | 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid | | Formula: | C14 H12 N2 O4 | | SMILES: | Cn1cc(c2onc(C(O)=O)c2CO)c3ccccc13 | | InChi: | InChI=1S/C14H12N2O4/c1-16-6-9(8-4-2-3-5-11(8)16)13-10(7-17)12(14(18)19)15-20-13/h2-6,17H,7H2,1H3,(H,18,19) | | Definition date: | 2023-05-21 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid |
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 | | P1X | | Name: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid | | Formula: | C19 H18 Cl N5 O4 | | SMILES: | OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl)cc3)nn2 | | InChi: | InChI=1S/C19H18ClN5O4/c20-14-5-3-12(4-6-14)2-1-7-25-11-15(23-24-25)13-8-16(26)18(21-9-13)19(29)22-10-17(27)28/h3-6,8-9,11,26H,1-2,7,10H2,(H,22,29)(H,27,28) | | Synonyms: | (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine | | Definition date: | 2023-02-28 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
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 | | P5I | | Name: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid | | Formula: | C17 H12 Cl N3 O5 | | SMILES: | OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(Cl)c3 | | InChi: | InChI=1S/C17H12ClN3O5/c18-11-3-1-2-9(4-11)12-6-14(26-21-12)10-5-13(22)16(19-7-10)17(25)20-8-15(23)24/h1-7,22H,8H2,(H,20,25)(H,23,24) | | Synonyms: | (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine | | Definition date: | 2023-02-28 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
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 | | UF3 | | Name: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione | | Formula: | C11 H6 Cl N3 O2 | | SMILES: | Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1 | | InChi: | InChI=1S/C11H6ClN3O2/c12-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)11(17)15-9/h1-4H,(H,14,16)(H,15,17) | | Definition date: | 2023-02-03 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione |
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 | | UFI | | Name: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione | | Formula: | C13 H9 N O4 | | SMILES: | COc1ccc2C(=O)N(O)C(=O)c3cccc1c23 | | InChi: | InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3 | | Definition date: | 2023-02-03 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione |
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 | | YLI | | Name: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C18 H17 Br N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1 | | InChi: | InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | YLR | | Name: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C22 H20 N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21 | | InChi: | InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | YME | | Name: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid | | Formula: | C16 H10 Cl N O3 | | SMILES: | O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O | | InChi: | InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21) | | Definition date: | 2023-02-09 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid |
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 | | YO6 | | Name: | [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid | | Formula: | C11 H9 F N2 O2 S | | SMILES: | O=C(O)Cc1csc(Nc2ccc(F)cc2)n1 | | InChi: | InChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16) | | Definition date: | 2023-02-13 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid |
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 | | YP3 | | Name: | 5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide | | Formula: | C17 H13 Br N2 O2 | | SMILES: | Brc1cc(c(O)cc1)C(=O)NCc1ccc2ncccc2c1 | | InChi: | InChI=1S/C17H13BrN2O2/c18-13-4-6-16(21)14(9-13)17(22)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,21H,10H2,(H,20,22) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide |
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 | | YQ8 | | Name: | 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline | | Formula: | C19 H16 Cl N3 O2 | | SMILES: | Clc1ccc(cc1)N1C(C)=Cc2c(OC)c(cc3ncnc1c32)OC | | InChi: | InChI=1S/C19H16ClN3O2/c1-11-8-14-17-15(9-16(24-2)18(14)25-3)21-10-22-19(17)23(11)13-6-4-12(20)5-7-13/h4-10H,1-3H3 | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline |
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 | | YQL | | Name: | (6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid | | Formula: | C20 H20 Cl N3 O3 | | SMILES: | O=C(O)c1cc(cc2[NH]c(CN3CCOCC3)nc12)c1ccc(C)cc1Cl | | InChi: | InChI=1S/C20H20ClN3O3/c1-12-2-3-14(16(21)8-12)13-9-15(20(25)26)19-17(10-13)22-18(23-19)11-24-4-6-27-7-5-24/h2-3,8-10H,4-7,11H2,1H3,(H,22,23)(H,25,26) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid |
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 | | YQQ | | Name: | (2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid | | Formula: | C19 H16 Br N3 O4 S | | SMILES: | Brc1cc(c(O)cc1)C(=O)NCc1cc(ccc1)Nc1nc(cs1)CC(=O)O | | InChi: | InChI=1S/C19H16BrN3O4S/c20-12-4-5-16(24)15(7-12)18(27)21-9-11-2-1-3-13(6-11)22-19-23-14(10-28-19)8-17(25)26/h1-7,10,24H,8-9H2,(H,21,27)(H,22,23)(H,25,26) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid |
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 | | YUB | | Name: | (8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C19 H16 Cl F N6 O | | SMILES: | Fc1ccccc1NCC1=CC(=O)n2nc(nc2N1)NCc1ccccc1Cl | | InChi: | InChI=1S/C19H16ClFN6O/c20-14-6-2-1-5-12(14)10-23-18-25-19-24-13(9-17(28)27(19)26-18)11-22-16-8-4-3-7-15(16)21/h1-9,22H,10-11H2,(H2,23,24,25,26) | | Definition date: | 2023-02-21 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | YSQ | | Name: | 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium) | | Formula: | C29 H25 N7 O2 | | SMILES: | O=C(N/N=C/c1cc[n+](C)c2ccccc21)c1cccc(n1)C(=O)N/N=C/c1cc[n+](C)c2ccccc21 | | InChi: | InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2 | | Definition date: | 2023-02-17 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium) |
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