 | | GW1 | | Name: | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone | | Formula: | C10 H14 Cl N3 O | | SMILES: | Cn1ncc(Cl)c1C(=O)N2CCCCC2 | | InChi: | InChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3 | | Definition date: | 2018-06-01 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone |
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 | | JFJ | | Name: | 1-(3-chlorophenyl)-N-methylmethanamine | | Formula: | C8 H10 Cl N | | SMILES: | CNCc1cccc(Cl)c1 | | InChi: | InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-(3-chlorophenyl)-N-methylmethanamine |
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 | | JFM | | Name: | N-(2-phenylethyl)methanesulfonamide | | Formula: | C9 H13 N O2 S | | SMILES: | c1cccc(CCNS(C)(=O)=O)c1 | | InChi: | InChI=1S/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-(2-phenylethyl)methanesulfonamide |
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 | | JFP | | Name: | N-(4-methyl-1,3-thiazol-2-yl)propanamide | | Formula: | C7 H10 N2 O S | | SMILES: | CCC(=O)Nc1nc(cs1)C | | InChi: | InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-(4-methyl-1,3-thiazol-2-yl)propanamide |
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 | | JFS | | Name: | [4-(1H-benzimidazol-1-yl)phenyl]methanol | | Formula: | C14 H12 N2 O | | SMILES: | c1(ccc(CO)cc1)n3c2ccccc2nc3 | | InChi: | InChI=1S/C14H12N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | [4-(1H-benzimidazol-1-yl)phenyl]methanol |
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 | | JFV | | Name: | methyl 2-(4-aminophenoxy)benzoate | | Formula: | C14 H13 N O3 | | SMILES: | c2(Oc1ccc(cc1)N)c(C(OC)=O)cccc2 | | InChi: | InChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | methyl 2-(4-aminophenoxy)benzoate |
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 | | JFY | | Name: | N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide | | Formula: | C11 H17 N O2 S | | SMILES: | c1c(C(CC)C)ccc(c1)NS(C)(=O)=O | | InChi: | InChI=1S/C11H17NO2S/c1-4-9(2)10-5-7-11(8-6-10)12-15(3,13)14/h5-9,12H,4H2,1-3H3/t9-/m0/s1 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide |
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 | | JG4 | | Name: | 2-(thiophen-2-yl)-1H-imidazole | | Formula: | C7 H6 N2 S | | SMILES: | c2cc(c1nccn1)sc2 | | InChi: | InChI=1S/C7H6N2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-5H,(H,8,9) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 2-(thiophen-2-yl)-1H-imidazole |
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 | | JGA | | Name: | N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea | | Formula: | C7 H11 N3 O2 | | SMILES: | CCNC(=O)Nc1noc(c1)C | | InChi: | InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea |
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 | | JGD | | Name: | N,N-dimethylpyridin-4-amine | | Formula: | C7 H10 N2 | | SMILES: | CN(c1ccncc1)C | | InChi: | InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N,N-dimethylpyridin-4-amine |
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 | | JGG | | Name: | N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide | | Formula: | C13 H15 N3 O2 | | SMILES: | C2CN(C(NCc1ccc(C#N)cc1)=O)CCO2 | | InChi: | InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide |
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 | | JGJ | | Name: | 2-methoxy-N-[(1R)-1-phenylethyl]acetamide | | Formula: | C11 H15 N O2 | | SMILES: | C(NC(C)c1ccccc1)(=O)COC | | InChi: | InChI=1S/C11H15NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 2-methoxy-N-[(1R)-1-phenylethyl]acetamide |
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 | | JGM | | Name: | {N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide | | Formula: | C11 H15 N3 O3 | | SMILES: | c1(ccc(CC(NC(C)=O)C(=O)NN)cc1)O | | InChi: | InChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17)/t10-/m0/s1 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide (non-preferred name) |
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 | | JGP | | Name: | (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone | | Formula: | C14 H17 N O3 | | SMILES: | C1N(CCCCC1)C(c3ccc2OCOc2c3)=O | | InChi: | InChI=1S/C14H17NO3/c16-14(15-7-3-1-2-4-8-15)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,1-4,7-8,10H2 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone |
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 | | JGS | | Name: | 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid | | Formula: | C11 H8 N2 O4 | | SMILES: | c1(oncc1)C(Nc2cc(C(O)=O)ccc2)=O | | InChi: | InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid |
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 | | JGV | | Name: | (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone | | Formula: | C11 H13 N3 O2 S | | SMILES: | C3N(C(c1ccc2c(c1)NNS2)=O)CCOC3 | | InChi: | InChI=1S/C11H13N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7,12-13H,3-6H2 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
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 | | JGY | | Name: | 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide | | Formula: | C10 H15 N3 O2 | | SMILES: | C(C1CCCO1)NC(c2ccn(C)n2)=O | | InChi: | InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m0/s1 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide |
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 | | JH1 | | Name: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide | | Formula: | C13 H14 F N3 O | | SMILES: | c1c(ccc(F)c1)CNC(c2cn(CC)nc2)=O | | InChi: | InChI=1S/C13H14FN3O/c1-2-17-9-11(8-16-17)13(18)15-7-10-3-5-12(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide |
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 | | JH4 | | Name: | N-methylpyrimidin-2-amine | | Formula: | C5 H7 N3 | | SMILES: | CNc1ncccn1 | | InChi: | InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-methylpyrimidin-2-amine |
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 | | JH7 | | Name: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one | | Formula: | C10 H11 N3 O | | SMILES: | c2c(NC=1N(C)NC(C=1)=O)cccc2 | | InChi: | InChI=1S/C10H11N3O/c1-13-9(7-10(14)12-13)11-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,14) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one |
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 | | JHA | | Name: | 3-chloro-4-(4-methylpiperidin-1-yl)aniline | | Formula: | C12 H17 Cl N2 | | SMILES: | c1cc(c(cc1N)Cl)N2CCC(C)CC2 | | InChi: | InChI=1S/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3-chloro-4-(4-methylpiperidin-1-yl)aniline |
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 | | JHD | | Name: | 1-(3,4-dimethoxyphenyl)methanamine | | Formula: | C9 H13 N O2 | | SMILES: | COc1c(OC)ccc(CN)c1 | | InChi: | InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3 | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-(3,4-dimethoxyphenyl)methanamine |
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 | | JHJ | | Name: | N-(4-methoxyphenyl)-N'-pyridin-4-ylurea | | Formula: | C13 H13 N3 O2 | | SMILES: | C(=O)(Nc1ccncc1)Nc2ccc(cc2)OC | | InChi: | InChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-(4-methoxyphenyl)-N'-pyridin-4-ylurea |
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 | | JHP | | Name: | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide | | Formula: | C10 H14 Cl N3 O | | SMILES: | C2(NC(c1c(cn(C)n1)Cl)=O)CCCC2 | | InChi: | InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide |
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 | | JHS | | Name: | N-[(4-phenyloxan-4-yl)methyl]acetamide | | Formula: | C14 H19 N O2 | | SMILES: | C1OCCC(CNC(C)=O)(C1)c2ccccc2 | | InChi: | InChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16) | | Definition date: | 2018-09-10 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | N-[(4-phenyloxan-4-yl)methyl]acetamide |
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