![QR2 QR2](https://data.pdbj.org/pdbjplus/data/cc/svg/QR2.svg) | QR2 | 表記: | 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one | 組成式: | C9 H4 Cl F3 N2 O2 | SMILES: | FC(F)(F)c1cc(ccc1Cl)C2=NNC(=O)O2 | InChi: | InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16) | 定義日: | 2020-07-24 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one |
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![Q6K Q6K](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6K.svg) | Q6K | 表記: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide | 組成式: | C28 H35 N7 O2 | SMILES: | CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C | InChi: | InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32) | 定義日: | 2020-05-25 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide |
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![RFT RFT](https://data.pdbj.org/pdbjplus/data/cc/svg/RFT.svg) | RFT | 表記: | butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate | 組成式: | C15 H24 N2 O3 S3 | SMILES: | C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O | InChi: | InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20) | 定義日: | 2020-05-13 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate |
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![RH8 RH8](https://data.pdbj.org/pdbjplus/data/cc/svg/RH8.svg) | RH8 | 表記: | ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | 組成式: | C21 H21 F N8 | SMILES: | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2F | InChi: | InChI=1S/C21H21FN8/c1-28-9-11-29(12-10-28)20-5-4-15(13-17(20)22)26-21-23-8-6-18(27-21)16-14-25-30-19(16)3-2-7-24-30/h2-8,13-14H,9-12H2,1H3,(H,23,26,27) | 定義日: | 2020-09-29 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
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![N47 N47](https://data.pdbj.org/pdbjplus/data/cc/svg/N47.svg) | N47 | 表記: | N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine | 組成式: | C20 H29 N5 O2 | SMILES: | N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C | InChi: | InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24) | 定義日: | 2019-05-02 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine |
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![K7M K7M](https://data.pdbj.org/pdbjplus/data/cc/svg/K7M.svg) | K7M | 表記: | (2R)-N-hydroxy-1-phenylpropan-2-amine | 組成式: | C9 H13 N O | SMILES: | c1ccccc1CC(C)NO | InChi: | InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1 | 別名: | N-(1-phenylpropan-2-yl)hydroxylamine | 定義日: | 2018-11-06 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (2R)-N-hydroxy-1-phenylpropan-2-amine |
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![H3U H3U](https://data.pdbj.org/pdbjplus/data/cc/svg/H3U.svg) | H3U | 表記: | 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid | 組成式: | C25 H21 N3 O11 S3 | SMILES: | Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O | InChi: | InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39) | 定義日: | 2020-11-02 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid |
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![RUZ RUZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RUZ.svg) | RUZ | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate | 組成式: | C16 H23 N5 O9 S | SMILES: | N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23 | InChi: | InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1 | 別名: | SerS7HMDDA | 定義日: | 2020-10-21 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate |
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![C5F C5F](https://data.pdbj.org/pdbjplus/data/cc/svg/C5F.svg) | C5F | 表記: | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid | 組成式: | C13 H14 Cl2 O3 | SMILES: | C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C | InChi: | InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1 | 定義日: | 2019-01-23 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid |
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![UA7 UA7](https://data.pdbj.org/pdbjplus/data/cc/svg/UA7.svg) | UA7 | 表記: | Brodifacoum | 組成式: | C31 H23 Br O3 | SMILES: | C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C=5C(Oc6c(C=5O)cccc6)=O | InChi: | InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27-/m1/s1 | 別名: | 3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one | 定義日: | 2020-05-06 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one |
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![UAJ UAJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UAJ.svg) | UAJ | 表記: | Chlorophacinone | 組成式: | C23 H15 Cl O3 | SMILES: | c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4 | InChi: | InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1 | 別名: | 2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione | 定義日: | 2020-05-06 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione |
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![UAV UAV](https://data.pdbj.org/pdbjplus/data/cc/svg/UAV.svg) | UAV | 表記: | (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione | 組成式: | C31 H48 O3 | SMILES: | c12c(cccc1)C(=O)C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C2=O)C)O | InChi: | InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23?,24-,26-,31+/m0/s1 | 定義日: | 2020-05-06 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione |
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![CD0 CD0](https://data.pdbj.org/pdbjplus/data/cc/svg/CD0.svg) | CD0 | 表記: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol | 組成式: | C21 H32 O2 | SMILES: | c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O | InChi: | InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1 | 定義日: | 2018-05-09 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol |
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![VZM VZM](https://data.pdbj.org/pdbjplus/data/cc/svg/VZM.svg) | VZM | 表記: | N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea | 組成式: | C11 H11 N3 O2 S | SMILES: | N(c1cccs1)C(=O)Nc2cnc(cc2)OC | InChi: | InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15) | 定義日: | 2020-09-24 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea |
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![VZS VZS](https://data.pdbj.org/pdbjplus/data/cc/svg/VZS.svg) | VZS | 表記: | N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea | 組成式: | C11 H13 N5 O2 | SMILES: | N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC | InChi: | InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17) | 定義日: | 2020-09-24 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea |
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![W0M W0M](https://data.pdbj.org/pdbjplus/data/cc/svg/W0M.svg) | W0M | 表記: | (2R)-2-(4-chlorophenoxy)propanamide | 組成式: | C9 H10 Cl N O2 | SMILES: | c1cc(ccc1Cl)OC(C(=O)N)C | InChi: | InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1 | 定義日: | 2020-09-24 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (2R)-2-(4-chlorophenoxy)propanamide |
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![T4T T4T](https://data.pdbj.org/pdbjplus/data/cc/svg/T4T.svg) | T4T | 表記: | 2-tetradecylsulfanylethanoic acid | 組成式: | C16 H32 O2 S | SMILES: | CCCCCCCCCCCCCCSCC(O)=O | InChi: | InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18) | 定義日: | 2018-07-10 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-tetradecylsulfanylethanoic acid |
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![E0O E0O](https://data.pdbj.org/pdbjplus/data/cc/svg/E0O.svg) | E0O | 表記: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid | 組成式: | C10 H11 Cl O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(O)=O | InChi: | InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) | 定義日: | 2019-09-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid |
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![EA6 EA6](https://data.pdbj.org/pdbjplus/data/cc/svg/EA6.svg) | EA6 | 表記: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine | 組成式: | C14 H19 Cl F N5 O2 | SMILES: | CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl | InChi: | InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20) | 定義日: | 2019-11-28 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
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![WGM WGM](https://data.pdbj.org/pdbjplus/data/cc/svg/WGM.svg) | WGM | 表記: | (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol | 組成式: | C11 H15 F N2 O | SMILES: | n1cccc(c1N2CC(O)C(C)(C2)C)F | InChi: | InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol |
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![WGP WGP](https://data.pdbj.org/pdbjplus/data/cc/svg/WGP.svg) | WGP | 表記: | N,N-dimethyl-N~2~-phenylglycinamide | 組成式: | C10 H14 N2 O | SMILES: | N(CC(N(C)C)=O)c1ccccc1 | InChi: | InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N,N-dimethyl-N~2~-phenylglycinamide |
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![WGS WGS](https://data.pdbj.org/pdbjplus/data/cc/svg/WGS.svg) | WGS | 表記: | 3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine | 組成式: | C11 H15 F N2 O | SMILES: | N(c1c(F)cccn1)CC2CCOCC2 | InChi: | InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14) | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine |
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![WGV WGV](https://data.pdbj.org/pdbjplus/data/cc/svg/WGV.svg) | WGV | 表記: | 1-(3-phenylprop-2-yn-1-yl)piperidine | 組成式: | C14 H17 N | SMILES: | c1ccccc1C#CCN2CCCCC2 | InChi: | InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | 1-(3-phenylprop-2-yn-1-yl)piperidine |
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![WGY WGY](https://data.pdbj.org/pdbjplus/data/cc/svg/WGY.svg) | WGY | 表記: | N-(4-sulfamoylphenyl)propanamide | 組成式: | C9 H12 N2 O3 S | SMILES: | NS(c1ccc(cc1)NC(=O)CC)(=O)=O | InChi: | InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14) | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N-(4-sulfamoylphenyl)propanamide |
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![WH1 WH1](https://data.pdbj.org/pdbjplus/data/cc/svg/WH1.svg) | WH1 | 表記: | N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide | 組成式: | C15 H16 N2 O | SMILES: | n1c(cccc1)CCN(C(=O)c2ccccc2)C | InChi: | InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3 | 定義日: | 2020-10-30 | 最終更新日: | 2020-11-06 | 公開日: | 2020-11-11 | 識別子(ID): | N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide |
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