Product OPENEYE NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-2-amine
CAS Name: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-propanamine
IUPAC NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-2-amine
SYSTEMATIC NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-2-amine
MOLECULAR FORMULA: C13H16F3NO4S
MOLECULAR WEIGHT: 339.33065
SMILES: CC(C)NC[C@H]1COC2=C(O1)C=C(C=C2)S(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[3-[3-(1-piperidyl)propyl]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
CAS Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[3-[3-(1-piperidinyl)propyl]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
IUPAC NAME: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[3-(3-piperidin-1-ylpropyl)phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-10,11,12a-tris(oxidanyl)-7-[3-(3-piperidin-1-ylpropyl)phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
MOLECULAR FORMULA: C35H41N3O7
MOLECULAR WEIGHT: 615.71594
SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)C5=CC(=CC=C5)CCCN6CCCCC6
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Product OPENEYE NAME: 3-[(2-hydroxyphenyl)methyl]indolin-2-one hydrochloride
CAS Name: 3-[(2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one hydrochloride
IUPAC NAME: 3-[(2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one hydrochloride
SYSTEMATIC NAME: 3-[(2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one hydrochloride
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: C1=CC=C(C(=C1)CC2C3=CC=CC=C3NC2=O)O.Cl
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Product OPENEYE NAME: 3-[(2-hydroxyphenyl)methyl]indolin-2-one; sulfuric acid
CAS Name: 3-[(2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one; sulfuric acid
IUPAC NAME: 3-[(2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one; sulfuric acid
SYSTEMATIC NAME: 3-[(2-hydroxyphenyl)methyl]-1,3-dihydroindol-2-one; sulfuric acid
MOLECULAR FORMULA: C15H15NO6S
MOLECULAR WEIGHT: 337.3477
SMILES: C1=CC=C(C(=C1)CC2C3=CC=CC=C3NC2=O)O.OS(=O)(=O)O
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Product OPENEYE NAME: 4-[(1E,3E,5E)-5-[1-(fluoromethyl)-3,3-dimethyl-indolin-2-ylidene]penta-1,3-dienyl]-1-(2-methoxyethyl)quinolin-1-ium iodide
CAS Name: 4-[(1E,3E,5E)-5-[1-(fluoromethyl)-3,3-dimethyl-2-indolylidene]penta-1,3-dienyl]-1-(2-methoxyethyl)quinolin-1-ium iodide
IUPAC NAME: 4-[(1E,3E,5E)-5-[1-(fluoromethyl)-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1-(2-methoxyethyl)quinolin-1-ium iodide
SYSTEMATIC NAME: 4-[(1E,3E,5E)-5-[1-(fluoranylmethyl)-3,3-dimethyl-indol-2-ylidene]penta-1,3-dienyl]-1-(2-methoxyethyl)quinolin-1-ium iodide
MOLECULAR FORMULA: C28H30FIN2O
MOLECULAR WEIGHT: 556.453473
SMILES: CC\1(C2=CC=CC=C2N(/C1=C/C=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCOC)CF)C.[I-]
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Product OPENEYE NAME: 4-[(1E,3E,5E)-5-[1-(fluoromethyl)-3,3-dimethyl-indolin-2-ylidene]penta-1,3-dienyl]-1-(2-methoxyethyl)quinolin-1-ium
CAS Name: 4-[(1E,3E,5E)-5-[1-(fluoromethyl)-3,3-dimethyl-2-indolylidene]penta-1,3-dienyl]-1-(2-methoxyethyl)quinolin-1-ium
IUPAC NAME: 4-[(1E,3E,5E)-5-[1-(fluoromethyl)-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1-(2-methoxyethyl)quinolin-1-ium
SYSTEMATIC NAME: 4-[(1E,3E,5E)-5-[1-(fluoranylmethyl)-3,3-dimethyl-indol-2-ylidene]penta-1,3-dienyl]-1-(2-methoxyethyl)quinolin-1-ium
MOLECULAR FORMULA: C28H30FN2O+
MOLECULAR WEIGHT: 429.549003
SMILES: CC\1(C2=CC=CC=C2N(/C1=C/C=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCOC)CF)C
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Product OPENEYE NAME: (2E)-3-(2-chloroethyl)-6-methoxy-2-[(E)-3-[1-[(4-nitrophenyl)methyl]quinolin-1-ium-4-yl]prop-2-enylidene]-1,3-benzoselenazole iodide
CAS Name: (2E)-3-(2-chloroethyl)-6-methoxy-2-[(E)-3-[1-[(4-nitrophenyl)methyl]-4-quinolin-1-iumyl]prop-2-enylidene]-1,3-benzoselenazole iodide
IUPAC NAME: (2E)-3-(2-chloroethyl)-6-methoxy-2-[(E)-3-[1-[(4-nitrophenyl)methyl]quinolin-1-ium-4-yl]prop-2-enylidene]-1,3-benzoselenazole iodide
SYSTEMATIC NAME: (2E)-3-(2-chloroethyl)-6-methoxy-2-[(E)-3-[1-[(4-nitrophenyl)methyl]quinolin-1-ium-4-yl]prop-2-enylidene]-1,3-benzoselenazole iodide
MOLECULAR FORMULA: C29H25ClIN3O3Se
MOLECULAR WEIGHT: 704.84457
SMILES: COC1=CC2=C(C=C1)N(/C(=C\C=C\C3=CC=[N+](C4=CC=CC=C34)CC5=CC=C(C=C5)[N+](=O)[O-])/[Se]2)CCCl.[I-]
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Product OPENEYE NAME: (2E)-3-(2-chloroethyl)-6-methoxy-2-[(E)-3-[1-[(4-nitrophenyl)methyl]quinolin-1-ium-4-yl]prop-2-enylidene]-1,3-benzoselenazole
CAS Name: (2E)-3-(2-chloroethyl)-6-methoxy-2-[(E)-3-[1-[(4-nitrophenyl)methyl]-4-quinolin-1-iumyl]prop-2-enylidene]-1,3-benzoselenazole
IUPAC NAME: (2E)-3-(2-chloroethyl)-6-methoxy-2-[(E)-3-[1-[(4-nitrophenyl)methyl]quinolin-1-ium-4-yl]prop-2-enylidene]-1,3-benzoselenazole
SYSTEMATIC NAME: (2E)-3-(2-chloroethyl)-6-methoxy-2-[(E)-3-[1-[(4-nitrophenyl)methyl]quinolin-1-ium-4-yl]prop-2-enylidene]-1,3-benzoselenazole
MOLECULAR FORMULA: C29H25ClN3O3Se+
MOLECULAR WEIGHT: 577.9401
SMILES: COC1=CC2=C(C=C1)N(/C(=C\C=C\C3=CC=[N+](C4=CC=CC=C34)CC5=CC=C(C=C5)[N+](=O)[O-])/[Se]2)CCCl
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Product OPENEYE NAME: 5-(3,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-3H-pyrrol-2-one
CAS Name: 5-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-3H-pyrrol-2-one
IUPAC NAME: 5-(3,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholin-4-ylethyl)-3H-pyrrol-2-one
SYSTEMATIC NAME: 5-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)carbonyl-1-(2-morpholin-4-ylethyl)-3-oxidanyl-3H-pyrrol-2-one
MOLECULAR FORMULA: C25H27FN2O6
MOLECULAR WEIGHT: 470.490083
SMILES: COC1=C(C=C(C=C1)C2=C(C(C(=O)N2CCN3CCOCC3)O)C(=O)C4=CC=C(C=C4)F)OC
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Product OPENEYE NAME: 4-[3-hydroxy-1-(2-morpholinoethyl)-2-oxo-5-phenyl-3H-pyrrole-4-carbonyl]-N,N-dimethyl-benzenesulfonamide
CAS Name: 4-[[3-hydroxy-1-[2-(4-morpholinyl)ethyl]-2-oxo-5-phenyl-3H-pyrrol-4-yl]-oxomethyl]-N,N-dimethylbenzenesulfonamide
IUPAC NAME: 4-[3-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-5-phenyl-3H-pyrrole-4-carbonyl]-N,N-dimethylbenzenesulfonamide
SYSTEMATIC NAME: N,N-dimethyl-4-[[1-(2-morpholin-4-ylethyl)-3-oxidanyl-2-oxidanylidene-5-phenyl-3H-pyrrol-4-yl]carbonyl]benzenesulfonamide
MOLECULAR FORMULA: C25H29N3O6S
MOLECULAR WEIGHT: 499.57926
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C2O)CCN3CCOCC3)C4=CC=CC=C4
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Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-3-[2-(4-fluorophenyl)acetyl]-8-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(5S,8S,10aR)-8-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-3-[2-(4-fluorophenyl)-1-oxoethyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(5S,8S,10aR)-3-[2-(4-fluorophenyl)acetyl]-8-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(5S,8S,10aR)-8-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-3-[2-(4-fluorophenyl)ethanoyl]-6-oxidanylidene-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C34H36F2N6O3
MOLECULAR WEIGHT: 614.684846
SMILES: C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(C=CC=C4N3)C5=CC=CC=C5F)C(=O)CC6=CC=C(C=C6)F)NC
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Product OPENEYE NAME: (2S)-N-[(5S,8S,10aR)-8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-3-(2-phenylacetyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
CAS Name: (2S)-N-[(5S,8S,10aR)-8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-3-(1-oxo-2-phenylethyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
IUPAC NAME: (2S)-N-[(5S,8S,10aR)-8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxo-3-(2-phenylacetyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
SYSTEMATIC NAME: (2S)-N-[(5S,8S,10aR)-8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6-oxidanylidene-3-(2-phenylethanoyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
MOLECULAR FORMULA: C34H37FN6O3
MOLECULAR WEIGHT: 596.694383
SMILES: C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(C=CC=C4N3)C5=CC=C(C=C5)F)C(=O)CC6=CC=CC=C6)NC
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Product OPENEYE NAME: N-(4-isopropoxyphenyl)-3-[[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]sulfonyl]benzamide
CAS Name: 3-[[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]sulfonyl]-N-(4-propan-2-yloxyphenyl)benzamide
IUPAC NAME: 3-[[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]sulfonyl]-N-(4-propan-2-yloxyphenyl)benzamide
SYSTEMATIC NAME: 3-[[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]sulfonyl]-N-(4-propan-2-yloxyphenyl)benzamide
MOLECULAR FORMULA: C21H24N2O5S
MOLECULAR WEIGHT: 416.49066
SMILES: CC(C)OC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3C[C@H]4C[C@H]3CO4
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Product OPENEYE NAME: 3-(3-azabicyclo[2.2.1]heptan-3-ylsulfonyl)-N-(4-isopropoxyphenyl)benzamide
CAS Name: 3-(3-azabicyclo[2.2.1]heptan-3-ylsulfonyl)-N-(4-propan-2-yloxyphenyl)benzamide
IUPAC NAME: 3-(3-azabicyclo[2.2.1]heptan-3-ylsulfonyl)-N-(4-propan-2-yloxyphenyl)benzamide
SYSTEMATIC NAME: 3-(3-azabicyclo[2.2.1]heptan-3-ylsulfonyl)-N-(4-propan-2-yloxyphenyl)benzamide
MOLECULAR FORMULA: C22H26N2O4S
MOLECULAR WEIGHT: 414.51784
SMILES: CC(C)OC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC4CCC3C4
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Product OPENEYE NAME: 3-[[3-(1H-benzimidazol-2-yl)-1-piperidyl]sulfonyl]-N-(4-isopropoxyphenyl)benzamide
CAS Name: 3-[[3-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-N-(4-propan-2-yloxyphenyl)benzamide
IUPAC NAME: 3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
SYSTEMATIC NAME: 3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
MOLECULAR FORMULA: C28H30N4O4S
MOLECULAR WEIGHT: 518.6272
SMILES: CC(C)OC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC(C3)C4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-(thiazol-2-ylmethylcarbamoyl)cyclopropyl]benzamide
CAS Name: 3,5-ditert-butyl-4-hydroxy-N-[1-[oxo-(2-thiazolylmethylamino)methyl]cyclopropyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-(1,3-thiazol-2-ylmethylcarbamoyl)cyclopropyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-4-oxidanyl-N-[1-(1,3-thiazol-2-ylmethylcarbamoyl)cyclopropyl]benzamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2(CC2)C(=O)NCC3=NC=CS3
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