 | | VR6 | | Name: | N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine | | Formula: | C12 H14 N2 O2 | | SMILES: | C(CNCc1ccco1)Oc1ccccn1 | | InChi: | InChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine |
|
 | | VCN | | Name: | ~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide | | Formula: | C18 H17 N O2 | | SMILES: | CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C18H17NO2/c1-3-19(4-2)18(21)15-11-7-10-14-16(15)12-8-5-6-9-13(12)17(14)20/h5-11H,3-4H2,1-2H3 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide |
|
 | | VRC | | Name: | (4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one | | Formula: | C7 H8 N2 O3 | | SMILES: | O=N(=O)C1C=CC(=O)C(CN)=C1 | | InChi: | InChI=1S/C7H8N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,6H,4,8H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one |
|
 | | VCO | | Name: | ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate | | Formula: | C11 H16 N2 O2 | | SMILES: | O=C(OCC)C(C#N)=C1CCCCCN1 | | InChi: | InChI=1S/C11H16N2O2/c1-2-15-11(14)9(8-12)10-6-4-3-5-7-13-10/h13H,2-7H2,1H3/b10-9- | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate |
|
 | | UWI | | Name: | oxane-4-carboxamide | | Formula: | C6 H11 N O2 | | SMILES: | NC(=O)C1CCOCC1 | | InChi: | InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8) | | Definition date: | 2022-08-26 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | oxane-4-carboxamide |
|
 | | VCQ | | Name: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid | | Formula: | C13 H16 O3 | | SMILES: | OC(=O)[C](O)(C1CCCC1)c2ccccc2 | | InChi: | InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid |
|
 | | VRH | | Name: | N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide | | Formula: | C11 H15 N O4 | | SMILES: | COc1cc(C)ccc1OCC(=O)NOC | | InChi: | InChI=1S/C11H15NO4/c1-8-4-5-9(10(6-8)14-2)16-7-11(13)12-15-3/h4-6H,7H2,1-3H3,(H,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide |
|
 | | VCT | | Name: | ~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide | | Formula: | C16 H13 N O2 | | SMILES: | CN(C)C(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C16H13NO2/c1-17(2)16(19)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)18/h3-9H,1-2H3 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide |
|
 | | W7T | | Name: | N-(2-aminoethyl)-2-cyclohexylacetamide | | Formula: | C10 H20 N2 O | | SMILES: | O=C(CC1CCCCC1)NCCN | | InChi: | InChI=1S/C10H20N2O/c11-6-7-12-10(13)8-9-4-2-1-3-5-9/h9H,1-8,11H2,(H,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-aminoethyl)-2-cyclohexylacetamide |
|
 | | VCX | | Name: | methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate | | Formula: | C6 H7 Br N2 O2 | | SMILES: | Brc1c(C)[NH]nc1C(=O)OC | | InChi: | InChI=1S/C6H7BrN2O2/c1-3-4(7)5(9-8-3)6(10)11-2/h1-2H3,(H,8,9) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate |
|
 | | VRL | | Name: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate | | Formula: | C11 H13 N O3 | | SMILES: | O=C(OC)C1NCCc2cc(O)ccc12 | | InChi: | InChI=1S/C11H13NO3/c1-15-11(14)10-9-3-2-8(13)6-7(9)4-5-12-10/h2-3,6,10,12-13H,4-5H2,1H3/t10-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate |
|
 | | W7X | | Name: | 1-(6-methylpyridin-2-yl)-1,4-diazepane | | Formula: | C11 H17 N3 | | SMILES: | Cc1nc(ccc1)N1CCCNCC1 | | InChi: | InChI=1S/C11H17N3/c1-10-4-2-5-11(13-10)14-8-3-6-12-7-9-14/h2,4-5,12H,3,6-9H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(6-methylpyridin-2-yl)-1,4-diazepane |
|
 | | UWR | | Name: | (2R)-amino(3-chlorophenyl)acetonitrile | | Formula: | C8 H7 Cl N2 | | SMILES: | NC(C#N)c1cc(Cl)ccc1 | | InChi: | InChI=1S/C8H7ClN2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,11H2/t8-/m0/s1 | | Definition date: | 2022-08-26 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-amino(3-chlorophenyl)acetonitrile |
|
 | | WOR | | Name: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide | | Formula: | C11 H18 N2 O3 S | | SMILES: | Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C | | InChi: | InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3 | | Definition date: | 2022-10-06 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide |
|
 | | VRR | | Name: | ethyl N-benzyl-beta-alaninate | | Formula: | C12 H17 N O2 | | SMILES: | O=C(OCC)CCNCc1ccccc1 | | InChi: | InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl N-benzyl-beta-alaninate |
|
 | | VD6 | | Name: | (2R)-1-benzylpiperidine-2-carboxylic acid | | Formula: | C13 H17 N O2 | | SMILES: | O=C(O)C1CCCCN1Cc1ccccc1 | | InChi: | InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-1-benzylpiperidine-2-carboxylic acid |
|
 | | VRY | | Name: | 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole | | Formula: | C10 H10 Cl N3 O | | SMILES: | COc1cc(Cl)c(Cn2cncn2)cc1 | | InChi: | InChI=1S/C10H10ClN3O/c1-15-9-3-2-8(10(11)4-9)5-14-7-12-6-13-14/h2-4,6-7H,5H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole |
|
 | | VDD | | Name: | (2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid | | Formula: | C8 H9 N O2 S | | SMILES: | CC(Sc1ccccn1)C(=O)O | | InChi: | InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid |
|
 | | W8B | | Name: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one | | Formula: | C8 H10 Cl N3 O2 | | SMILES: | ClC1=C(C=NNC1=O)N1CCOCC1 | | InChi: | InChI=1S/C8H10ClN3O2/c9-7-6(5-10-11-8(7)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,11,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-chloro-5-(morpholin-4-yl)pyridazin-3(2H)-one |
|
 | | VDI | | Name: | 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid | | Formula: | C11 H11 Cl O2 | | SMILES: | OC(=O)C1(CCC1)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid |
|
 | | W8F | | Name: | 1-(3-methoxy-4-methylphenyl)methanamine | | Formula: | C9 H13 N O | | SMILES: | Cc1ccc(cc1OC)CN | | InChi: | InChI=1S/C9H13NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,6,10H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(3-methoxy-4-methylphenyl)methanamine |
|
 | | UXB | | Name: | (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol | | Formula: | C9 H12 Cl N O | | SMILES: | NC(CCO)c1cc(Cl)ccc1 | | InChi: | InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1 | | Definition date: | 2022-08-26 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol |
|
 | | VS7 | | Name: | (2R)-1-(1H-indol-3-yl)propan-2-amine | | Formula: | C11 H14 N2 | | SMILES: | CC(N)Cc1c[NH]c2ccccc21 | | InChi: | InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-1-(1H-indol-3-yl)propan-2-amine |
|
 | | W8K | | Name: | N-[(3-bromophenyl)methyl]acetamide | | Formula: | C9 H10 Br N O | | SMILES: | Brc1cc(CNC(C)=O)ccc1 | | InChi: | InChI=1S/C9H10BrNO/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3,(H,11,12) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(3-bromophenyl)methyl]acetamide |
|
 | | VSL | | Name: | methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate | | Formula: | C9 H12 N2 O2 | | SMILES: | O=C(OC)c1[NH]nc2CCCCc12 | | InChi: | InChI=1S/C9H12N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate |
|
