 | | U39 | | Name: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide | | Formula: | C18 H20 N2 O4 S | | SMILES: | O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1 | | InChi: | InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21) | | Definition date: | 2022-08-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide |
|
 | | T0U | | Name: | 4,4'-methylenediphenol | | Formula: | C13 H12 O2 | | SMILES: | Oc1ccc(Cc2ccc(O)cc2)cc1 | | InChi: | InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2 | | Synonyms: | Bisphenol F | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4,4'-methylenediphenol |
|
 | | T1I | | Name: | (1P)-[1,1'-biphenyl]-3,3'-diol | | Formula: | C12 H10 O2 | | SMILES: | Oc1cc(ccc1)c1cc(O)ccc1 | | InChi: | InChI=1S/C12H10O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8,13-14H | | Synonyms: | 3,3'-Biphenol | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1P)-[1,1'-biphenyl]-3,3'-diol |
|
 | | O2L | | Name: | N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide | | Formula: | C17 H16 F4 N2 O4 S | | SMILES: | Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C | | InChi: | InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24) | | Definition date: | 2022-04-17 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide |
|
 | | V6I | | Name: | N-(2-fluorophenyl)methanesulfonamide | | Formula: | C7 H8 F N O2 S | | SMILES: | O=S(C)(=O)Nc1ccccc1F | | InChi: | InChI=1S/C7H8FNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-fluorophenyl)methanesulfonamide |
|
 | | V6R | | Name: | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide | | Formula: | C12 H17 F N2 O | | SMILES: | Fc1ccccc1CN(C)C(=O)C(N)CC | | InChi: | InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide |
|
 | | V6Z | | Name: | methyl N-(2-chlorobenzoyl)glycinate | | Formula: | C10 H10 Cl N O3 | | SMILES: | O=C(NCC(=O)OC)c1ccccc1Cl | | InChi: | InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-(2-chlorobenzoyl)glycinate |
|
 | | V73 | | Name: | N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide | | Formula: | C11 H15 N O2 | | SMILES: | O=C(Cc1ccccc1)N(C)CCO | | InChi: | InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide |
|
 | | V7C | | Name: | N-[(2R)-2-cyanopropyl]benzamide | | Formula: | C11 H12 N2 O | | SMILES: | O=C(NCC(C)C#N)c1ccccc1 | | InChi: | InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(2R)-2-cyanopropyl]benzamide |
|
 | | V7L | | Name: | N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide | | Formula: | C9 H13 N3 O | | SMILES: | CN(C(=O)CNC)c1ccccn1 | | InChi: | InChI=1S/C9H13N3O/c1-10-7-9(13)12(2)8-5-3-4-6-11-8/h3-6,10H,7H2,1-2H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide |
|
 | | V7X | | Name: | 1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine | | Formula: | C10 H15 N3 | | SMILES: | NCc1cccnc1N1CCCC1 | | InChi: | InChI=1S/C10H15N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine |
|
 | | V86 | | Name: | 2-bromo-N-ethylbenzamide | | Formula: | C9 H10 Br N O | | SMILES: | O=C(NCC)c1ccccc1Br | | InChi: | InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-bromo-N-ethylbenzamide |
|
 | | V8L | | Name: | N'-phenylacetohydrazide | | Formula: | C8 H10 N2 O | | SMILES: | CC(=O)NNc1ccccc1 | | InChi: | InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N'-phenylacetohydrazide |
|
 | | V8T | | Name: | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine | | Formula: | C11 H17 N O | | SMILES: | CC(C)Oc1ccc(cc1)C(C)N | | InChi: | InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine |
|
 | | V92 | | Name: | 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile | | Formula: | C10 H6 N2 O2 | | SMILES: | OC=1c2ccccc2NC(=O)C=1C#N | | InChi: | InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile |
|
 | | V99 | | Name: | 3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine | | Formula: | C6 H12 N4 S | | SMILES: | CCSc1nnc(CC)n1N | | InChi: | InChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine |
|
 | | V9I | | Name: | ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate | | Formula: | C10 H18 N2 O4 | | SMILES: | CONC(=O)C1CCCN(C1)C(=O)OCC | | InChi: | InChI=1S/C10H18N2O4/c1-3-16-10(14)12-6-4-5-8(7-12)9(13)11-15-2/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate |
|
 | | V9P | | Name: | 1-(2-chloroethyl)-1H-imidazole | | Formula: | C5 H7 Cl N2 | | SMILES: | ClCCn1ccnc1 | | InChi: | InChI=1S/C5H7ClN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(2-chloroethyl)-1H-imidazole |
|
 | | V9X | | Name: | 3-(1H-indol-3-yl)propanamide | | Formula: | C11 H12 N2 O | | SMILES: | NC(=O)CCc1c[NH]c2ccccc21 | | InChi: | InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-(1H-indol-3-yl)propanamide |
|
 | | VAV | | Name: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron | | Formula: | C5 H5 B F3 N2 O2 | | SMILES: | Cn1nc(cc1[B](O)=O)C(F)(F)F | | InChi: | InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron |
|
 | | VB9 | | Name: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one | | Formula: | C10 H13 N3 O S2 | | SMILES: | CN(C)CCN1C(=O)c2sccc2NC1=S | | InChi: | InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
|
 | | VBI | | Name: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide | | Formula: | C10 H13 Cl N2 O3 S | | SMILES: | Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O | | InChi: | InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide |
|
 | | VBK | | Name: | [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine | | Formula: | C8 H11 N O S | | SMILES: | NC[CH]1OCCc2sccc12 | | InChi: | InChI=1S/C8H11NOS/c9-5-7-6-2-4-11-8(6)1-3-10-7/h2,4,7H,1,3,5,9H2/t7-/m1/s1 | | Synonyms: | 4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [(4~{S})-6,7-dihydro-4~{H}-thieno[3,2-c]pyran-4-yl]methanamine |
|
 | | VBO | | Name: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate | | Formula: | C8 H10 N2 O4 | | SMILES: | O=C(CCN1C=CC(=O)NC1=O)OC | | InChi: | InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate |
|
 | | VBQ | | Name: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid | | Formula: | C16 H11 N O4 | | SMILES: | OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19) | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid |
|
