 | | V3N | | Name: | 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide | | Formula: | C14 H17 N O3 | | SMILES: | O=Cc1ccc(cc1)C(=O)NCC2CCOCC2 | | InChi: | InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17) | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide |
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 | | V3Q | | Name: | 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide | | Formula: | C16 H15 N O3 | | SMILES: | COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1 | | InChi: | InChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19) | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide |
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 | | V3T | | Name: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide | | Formula: | C13 H13 N3 O2 | | SMILES: | Cn1ccnc1CNC(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18) | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide |
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 | | V3W | | Name: | 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde | | Formula: | C14 H17 N O3 | | SMILES: | COC1CCN(CC1)C(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H17NO3/c1-18-13-6-8-15(9-7-13)14(17)12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3 | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde |
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 | | V3Z | | Name: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate | | Formula: | C10 H11 N O6 S | | SMILES: | CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O | | InChi: | InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate |
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 | | V42 | | Name: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate | | Formula: | C11 H9 N3 O6 S | | SMILES: | Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O | | InChi: | InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate |
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 | | S9E | | Name: | 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde | | Formula: | C9 H6 Br N3 O | | SMILES: | Brc1nccn1c2ccc(C=O)cn2 | | InChi: | InChI=1S/C9H6BrN3O/c10-9-11-3-4-13(9)8-2-1-7(6-14)5-12-8/h1-6H | | Definition date: | 2020-11-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde |
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 | | V48 | | Name: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate | | Formula: | C16 H13 N O6 | | SMILES: | COc1cccc(CC(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)c1 | | InChi: | InChI=1S/C16H13NO6/c1-22-13-4-2-3-11(7-13)9-16(19)23-15-8-12(10-18)5-6-14(15)17(20)21/h2-8,10H,9H2,1H3 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate |
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 | | V4B | | Name: | [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate | | Formula: | C15 H9 F3 N2 O5 | | SMILES: | Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F | | InChi: | InChI=1S/C15H9F3N2O5/c1-8-10(3-5-13(19-8)15(16,17)18)14(22)25-12-6-9(7-21)2-4-11(12)20(23)24/h2-7H,1H3 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
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 | | V4H | | Name: | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde | | Formula: | C13 H15 N O3 | | SMILES: | O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde |
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 | | UON | | Name: | 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde | | Formula: | C15 H11 Cl N2 O2 | | SMILES: | COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3 | | Definition date: | 2021-03-03 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde |
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 | | TWQ | | Name: | 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde | | Formula: | C13 H16 N2 O4 | | SMILES: | CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O | | InChi: | InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1 | | Definition date: | 2021-01-14 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde |
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 | | V4K | | Name: | 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde | | Formula: | C15 H19 N O3 | | SMILES: | OCCC1CCN(CC1)C(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde |
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 | | UOT | | Name: | 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde | | Formula: | C15 H11 Cl N2 O2 | | SMILES: | COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1 | | InChi: | InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3 | | Definition date: | 2021-03-03 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde |
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 | | V4N | | Name: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate | | Formula: | C14 H8 Cl N O5 | | SMILES: | [O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2 | | InChi: | InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate |
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 | | TK2 | | Name: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine | | Formula: | C30 H30 N4 O | | SMILES: | Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5 | | InChi: | InChI=1S/C30H30N4O/c1-22-25(13-8-14-27(22)24-11-6-3-7-12-24)21-35-26-15-16-29-33-28(19-31)30(34(29)20-26)32-18-17-23-9-4-2-5-10-23/h2-16,20,32H,17-19,21,31H2,1H3 | | Definition date: | 2020-12-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine |
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 | | TZH | | Name: | (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate | | Formula: | C12 H14 N O4 | | SMILES: | Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O | | InChi: | InChI=1S/C12H14NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,16)/q+1 | | Definition date: | 2021-01-14 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (2-cyclobutylcarbonyloxy-4-methyl-phenyl)-oxidanyl-oxidanylidene-azanium |
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 | | TZW | | Name: | 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde | | Formula: | C12 H14 N2 O4 | | SMILES: | OC1CCN(CC1)c2cc(C=O)ccc2[N](=O)=O | | InChi: | InChI=1S/C12H14N2O4/c15-8-9-1-2-11(14(17)18)12(7-9)13-5-3-10(16)4-6-13/h1-2,7-8,10,16H,3-6H2 | | Definition date: | 2021-01-15 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde |
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 | | QRE | | Name: | 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid | | Formula: | C27 H26 N2 O7 S | | SMILES: | OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O | | InChi: | InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37) | | Definition date: | 2020-07-29 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid |
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 | | QRH | | Name: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide | | Formula: | C36 H38 N O3 P | | SMILES: | O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4 | | InChi: | InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+ | | Definition date: | 2020-07-29 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide |
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 | | UST | | Name: | 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde | | Formula: | C15 H13 N O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23 | | InChi: | InChI=1S/C15H13NO3S/c17-11-12-5-7-14(8-6-12)20(18,19)16-10-9-13-3-1-2-4-15(13)16/h1-8,11H,9-10H2 | | Definition date: | 2021-03-15 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde |
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 | | USW | | Name: | 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde | | Formula: | C15 H12 Cl N O4 S | | SMILES: | Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2 | | Definition date: | 2021-03-15 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
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 | | WMA | | Name: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione | | Formula: | C15 H17 N3 O2 | | SMILES: | n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2 | | InChi: | InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
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 | | UT8 | | Name: | 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde | | Formula: | C16 H15 N O5 S | | SMILES: | COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3 | | Definition date: | 2021-03-17 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
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 | | U1B | | Name: | 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde | | Formula: | C12 H14 N2 O4 | | SMILES: | O[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O | | InChi: | InChI=1S/C12H14N2O4/c15-8-9-3-4-11(14(17)18)12(6-9)13-5-1-2-10(16)7-13/h3-4,6,8,10,16H,1-2,5,7H2/t10-/m0/s1 | | Synonyms: | 4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde | | Definition date: | 2021-01-17 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde |
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