 | | JQA | | Name: | (4R,4aR,6R,8aR)-1-benzyloctahydro-2H-6,4-(epiminomethano)-3,1-benzoxazin-2-one | | Formula: | C16 H20 N2 O2 | | SMILES: | N1CC4C2C(CCC1C2)N(Cc3ccccc3)C(=O)O4 | | InChi: | InChI=1S/C16H20N2O2/c19-16-18(10-11-4-2-1-3-5-11)14-7-6-12-8-13(14)15(20-16)9-17-12/h1-5,12-15,17H,6-10H2/t12-,13-,14-,15+/m1/s1 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (4R,4aR,6R,8aR)-1-benzyloctahydro-2H-6,4-(epiminomethano)-3,1-benzoxazin-2-one |
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 | | JQD | | Name: | (6aS,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one | | Formula: | C14 H16 N2 O3 | | SMILES: | C2N4N(C3c1ccc(OC)cc1OCC23)CCC4=O | | InChi: | InChI=1S/C14H16N2O3/c1-18-10-2-3-11-12(6-10)19-8-9-7-16-13(17)4-5-15(16)14(9)11/h2-3,6,9,14H,4-5,7-8H2,1H3/t9-,14-/m1/s1 | | Definition date: | 2018-09-12 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (6aS,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one |
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 | | E7Z | | Name: | 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid | | Formula: | C7 H7 N O4 | | SMILES: | CN1C=C(O)C(=O)C=C1C(O)=O | | InChi: | InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12) | | Definition date: | 2018-02-27 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid |
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 | | 4C5 | | Name: | (2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid | | Formula: | C23 H23 N O3 S | | SMILES: | COc1ccc(cc1)C(SC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | | Definition date: | 2018-04-19 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (2~{R})-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid |
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 | | FV8 | | Name: | (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide | | Formula: | C16 H18 N4 O5 | | SMILES: | C[CH]1OC(=N[CH]1C(=O)N(O)CCc2c[nH]cn2)c3cccc(O)c3O | | InChi: | InChI=1S/C16H18N4O5/c1-9-13(16(23)20(24)6-5-10-7-17-8-18-10)19-15(25-9)11-3-2-4-12(21)14(11)22/h2-4,7-9,13,21-22,24H,5-6H2,1H3,(H,17,18)/t9-,13+/m1/s1 | | Definition date: | 2018-07-31 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide |
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 | | H5A | | Name: | 3,4,5-trimethoxybenzoic acid | | Formula: | C10 H12 O5 | | SMILES: | c1(C(=O)O)cc(c(c(OC)c1)OC)OC | | InChi: | InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) | | Definition date: | 2018-06-11 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 3,4,5-trimethoxybenzoic acid |
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 | | N19 | | Name: | 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide | | Formula: | C18 H21 N3 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3 | | InChi: | InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1 | | Definition date: | 2017-11-07 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide |
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 | | 5C5 | | Name: | (2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid | | Formula: | C25 H25 N O3 S | | SMILES: | COc1ccc(cc1)[C]2(SC[CH](N)C(O)=O)c3ccccc3CCc4ccccc24 | | InChi: | InChI=1S/C25H25NO3S/c1-29-20-14-12-19(13-15-20)25(30-16-23(26)24(27)28)21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)25/h2-9,12-15,23H,10-11,16,26H2,1H3,(H,27,28)/t23-/m0/s1 | | Definition date: | 2018-04-19 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | (2~{R})-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid |
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 | | DSJ | | Name: | 1-(4-amino-2-hydroxyphenyl)ethan-1-one | | Formula: | C8 H9 N O2 | | SMILES: | c1(O)cc(ccc1C(=O)C)N | | InChi: | InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3 | | Definition date: | 2017-11-02 | | Last modified: | 2018-10-05 | | Release date: | 2018-10-10 | | Identifier: | 1-(4-amino-2-hydroxyphenyl)ethan-1-one |
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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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 | | 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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 | | 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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 | | 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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