 | | XBF | | Name: | ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | | Formula: | C16 H25 N O4 | | SMILES: | CCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1 | | InChi: | InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-17(2)16(21)12-10-13(18)15(20)14(19)11-12/h10-11,18-20H,3-9H2,1-2H3 | | Definition date: | 2023-10-27 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide |
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 | | VXN | | Name: | 4-chloranylbenzenesulfonic acid | | Formula: | C6 H5 Cl O3 S | | SMILES: | O[S](=O)(=O)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10) | | Definition date: | 2023-04-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-chloranylbenzenesulfonic acid |
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 | | Y8X | | Name: | (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one | | Formula: | C15 H13 Cl N2 O | | SMILES: | Cc1cccc(c1)C1Nc2cccc(Cl)c2C(=O)N1 | | InChi: | InChI=1S/C15H13ClN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)/t14-/m0/s1 | | Definition date: | 2023-01-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one |
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 | | S9F | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H17 N5 O14 P3 | | SMILES: | NC1=NC(=O)[N-]2=C(N1)N(C=C2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C10H17N5O14P3/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)5(16)4(27-7)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,4-7,16-17H,3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,12,13,18)/q-1/t4-,5-,6-,7-/m1/s1 | | Definition date: | 2023-08-24 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3,5,7-triaza-1-azanuidabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | VXZ | | Name: | 2-azanyl-5-sulfo-benzoic acid | | Formula: | C7 H7 N O5 S | | SMILES: | Nc1ccc(cc1C(O)=O)[S](O)(=O)=O | | InChi: | InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13) | | Definition date: | 2023-04-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 2-azanyl-5-sulfo-benzoic acid |
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 | | WX9 | | Name: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one | | Formula: | C26 H27 F3 N6 O | | SMILES: | C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CN([CH](C)c4cnn(C)c4)C3=O)C(F)(F)F)c5nncn5C | | InChi: | InChI=1S/C26H27F3N6O/c1-16-10-25(11-16,24-32-30-15-33(24)3)20-7-5-6-18(8-20)22-9-21(26(27,28)29)14-35(23(22)36)17(2)19-12-31-34(4)13-19/h5-9,12-17H,10-11H2,1-4H3/t16-,17-,25+/m0/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{S})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one |
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 | | YAT | | Name: | emetine | | Formula: | C29 H40 N2 O4 | | SMILES: | COc1cc2CCNC(CC3CC4c5cc(OC)c(OC)cc5CCN4CC3CC)c2cc1OC | | InChi: | InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1 | | Synonyms: | (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine | | Definition date: | 2023-01-20 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (5S)-6',7',10,11-tetramethoxyemetan |
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 | | VZE | | Name: | 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol | | Formula: | C34 H39 N O4 | | SMILES: | CCCCCCCCN(Cc1ccc(Oc2ccccc2O)cc1)Cc3ccc(Oc4ccccc4)c(O)c3 | | InChi: | InChI=1S/C34H39NO4/c1-2-3-4-5-6-12-23-35(25-27-17-20-30(21-18-27)39-33-16-11-10-15-31(33)36)26-28-19-22-34(32(37)24-28)38-29-13-8-7-9-14-29/h7-11,13-22,24,36-37H,2-6,12,23,25-26H2,1H3 | | Definition date: | 2023-04-21 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol |
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 | | YBE | | Name: | tert-butyl [(1R,4s)-4-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-6-oxopiperidin-2-yl]-1H-benzimidazol-1-yl}cyclohexyl]carbamate | | Formula: | C28 H37 N5 O4 | | SMILES: | Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3)n(C3CCC(NC(=O)OC(C)(C)C)CC3)c2cc1 | | InChi: | InChI=1S/C28H37N5O4/c1-16-25(17(2)37-32-16)18-9-14-23-22(15-18)31-26(21-7-6-8-24(34)30-21)33(23)20-12-10-19(11-13-20)29-27(35)36-28(3,4)5/h9,14-15,19-21H,6-8,10-13H2,1-5H3,(H,29,35)(H,30,34)/t19-,20+,21-/m0/s1 | | Definition date: | 2023-01-23 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | tert-butyl [(1R,4s)-4-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-6-oxopiperidin-2-yl]-1H-benzimidazol-1-yl}cyclohexyl]carbamate |
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 | | YBO | | Name: | (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid | | Formula: | C24 H20 F2 N4 O4 S2 | | SMILES: | NS(=O)(=O)c1ccc(cc1F)Cc1c(nn(c2nc(cs2)C(=O)O)c1CC1CC1)c1ccc(F)cc1 | | InChi: | InChI=1S/C24H20F2N4O4S2/c25-16-6-4-15(5-7-16)22-17(9-14-3-8-21(18(26)10-14)36(27,33)34)20(11-13-1-2-13)30(29-22)24-28-19(12-35-24)23(31)32/h3-8,10,12-13H,1-2,9,11H2,(H,31,32)(H2,27,33,34) | | Definition date: | 2023-01-23 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid |
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 | | V5U | | Name: | (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide | | Formula: | C22 H23 F3 N8 O3 | | SMILES: | FC(F)(F)Oc1cccnc1c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)C(C1)OC | | InChi: | InChI=1S/C22H23F3N8O3/c1-35-17-11-33(8-5-12(17)26)15-4-7-28-9-13(15)32-21(34)19-20(27)30-10-14(31-19)18-16(3-2-6-29-18)36-22(23,24)25/h2-4,6-7,9-10,12,17H,5,8,11,26H2,1H3,(H2,27,30)(H,32,34)/t12-,17+/m0/s1 | | Definition date: | 2023-09-08 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide |
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 | | OP3 | | Name: | 7-methoxy-7-oxidanylidene-heptanoic acid | | Formula: | C8 H14 O4 | | SMILES: | COC(=O)CCCCCC(O)=O | | InChi: | InChI=1S/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10) | | Definition date: | 2023-02-09 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 7-methoxy-7-oxidanylidene-heptanoic acid |
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 | | WJ9 | | Name: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide | | Formula: | C26 H34 F3 N5 O3 | | SMILES: | C[CH](CO)Nc1cc(cc(n1)N2CCOCC2)c3cc(NC(=O)N4CC[CH](C4)CC(F)(F)F)ccc3C | | InChi: | InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1 | | Definition date: | 2023-10-05 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide |
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 | | NJ6 | | Name: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide | | Formula: | C20 H30 N6 O | | SMILES: | CN(C)C(=O)c1cc2cnc(N[CH]3CC[CH](N)CC3)nc2n1C4CCCC4 | | InChi: | InChI=1S/C20H30N6O/c1-25(2)19(27)17-11-13-12-22-20(23-15-9-7-14(21)8-10-15)24-18(13)26(17)16-5-3-4-6-16/h11-12,14-16H,3-10,21H2,1-2H3,(H,22,23,24)/t14-,15- | | Definition date: | 2023-01-17 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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 | | Q30 | | Name: | 3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one | | Formula: | C23 H34 O5 | | SMILES: | C[C]12CC[CH](O)C[C]1(O)CC[CH]3[CH]2CC[C]4(C)[CH](CC[C]34O)C5=CC(=O)OC5 | | InChi: | InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18-,20+,21+,22-,23-/m0/s1 | | Definition date: | 2023-03-15 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 3-[(3~{S},5~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2~{H}-furan-5-one |
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 | | JXL | | Name: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid | | Formula: | C5 H6 B F3 N2 O2 | | SMILES: | Cn1nc(cc1B(O)O)C(F)(F)F | | InChi: | InChI=1S/C5H6BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12-13H,1H3 | | Definition date: | 2023-08-10 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid |
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 | | TL0 | | Name: | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate | | Formula: | C33 H43 F N6 O4 S | | SMILES: | CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1c3cn(CC4CCN(CCN[S](=O)(=O)c5ccc(CC(C)C)cc5)CC4)nn3 | | InChi: | InChI=1S/C33H43FN6O4S/c1-22(2)17-24-5-8-27(9-6-24)45(42,43)35-13-16-39-14-11-25(12-15-39)19-40-20-30(37-38-40)31-28-18-26(34)7-10-29(28)36-32(31)33(41)44-21-23(3)4/h5-10,18,20,22-23,25,35-36H,11-17,19,21H2,1-4H3 | | Definition date: | 2023-01-11 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate |
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 | | HIR | | Name: | methyliridium(III) mesoporphyrin | | Formula: | C35 H33 Ir N4 O5 | | SMILES: | O=C(O)CCC=1C2=Cc3c(CCC(=O)O)c(C)c4C=C5C(C)=C(C=C)C=6C=C7C(C)=C(C=C)C8=CC(C=1C)=N2[Ir](C=O)(n43)(N5=6)N78 | | InChi: | InChI=1S/C34H34N4O4.CHO.Ir/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | | Definition date: | 2022-04-14 | | Last modified: | 2024-01-19 | | Release date: | 2023-02-22 | | Identifier: | [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](formyl)iridium |
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 | | IJ5 | | Name: | (2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile | | Formula: | C8 H6 Cl N O | | SMILES: | O[CH](C#N)c1ccccc1Cl | | InChi: | InChI=1S/C8H6ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H/t8-/m0/s1 | | Synonyms: | (R)-2-chloromandelonitrile | | Definition date: | 2022-07-04 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (2~{R})-2-(2-chlorophenyl)-2-oxidanyl-ethanenitrile |
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 | | A1AA6 | | Name: | ethyl (3-chlorophenyl)carbamate | | Formula: | C9 H10 Cl N O2 | | SMILES: | Clc1cc(NC(=O)OCC)ccc1 | | InChi: | InChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12) | | Definition date: | 2024-01-04 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | ethyl (3-chlorophenyl)carbamate |
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 | | A1AA8 | | Name: | 2-(methylsulfanyl)pyridine-3-carboxamide | | Formula: | C7 H8 N2 O S | | SMILES: | CSc1ncccc1C(N)=O | | InChi: | InChI=1S/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10) | | Definition date: | 2024-01-04 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 2-(methylsulfanyl)pyridine-3-carboxamide |
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 | | A1ABA | | Name: | [2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol | | Formula: | C12 H14 F3 N O2 | | SMILES: | FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1 | | InChi: | InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2 | | Definition date: | 2024-01-04 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | [2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol |
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 | | A1ABB | | Name: | (5P)-5-(furan-2-yl)thiophene-2-carboxylic acid | | Formula: | C9 H6 O3 S | | SMILES: | OC(=O)c1ccc(s1)c1occc1 | | InChi: | InChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11) | | Definition date: | 2024-01-04 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (5P)-5-(furan-2-yl)thiophene-2-carboxylic acid |
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 | | A1ABE | | Name: | (3M)-3-(furan-2-yl)benzoic acid | | Formula: | C11 H8 O3 | | SMILES: | O=C(O)c1cccc(c1)c1ccco1 | | InChi: | InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13) | | Definition date: | 2024-01-04 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | (3M)-3-(furan-2-yl)benzoic acid |
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 | | A1ABF | | Name: | 4-[(pyridin-2-yl)oxy]benzonitrile | | Formula: | C12 H8 N2 O | | SMILES: | N#Cc1ccc(cc1)Oc1ccccn1 | | InChi: | InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H | | Definition date: | 2024-01-04 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-[(pyridin-2-yl)oxy]benzonitrile |
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