Product OPENEYE NAME: O-benzyl N-[(E)-1-(acetamidocarbamoyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]vinyl]carbamothioate
CAS Name: N-[(E)-3-(acetylhydrazo)-1-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-oxoprop-1-en-2-yl]carbamothioic acid O-(phenylmethyl) ester
IUPAC NAME: O-benzyl N-[(E)-3-(2-acetylhydrazinyl)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamothioate
SYSTEMATIC NAME: O-(phenylmethyl) N-[(E)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(2-ethanoylhydrazinyl)-3-oxidanylidene-prop-1-en-2-yl]carbamothioate
MOLECULAR FORMULA: C19H22N6O3S
MOLECULAR WEIGHT: 414.48138
SMILES: CC1=CC(=NC(=N1)N/C=C(\C(=O)NNC(=O)C)/NC(=S)OCC2=CC=CC=C2)C
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Product OPENEYE NAME: 7-benzyl-5,6-dimethyl-2-pentyl-pyrrolo[2,3-d][1,3]oxazin-4-one
CAS Name: 5,6-dimethyl-2-pentyl-7-(phenylmethyl)-4-pyrrolo[2,3-d][1,3]oxazinone
IUPAC NAME: 7-benzyl-5,6-dimethyl-2-pentylpyrrolo[2,3-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 5,6-dimethyl-2-pentyl-7-(phenylmethyl)pyrrolo[2,3-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: CCCCCC1=NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C(=O)O1
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Product OPENEYE NAME: 7-benzyl-2-isopropyl-5,6-dimethyl-pyrrolo[2,3-d][1,3]oxazin-4-one
CAS Name: 5,6-dimethyl-7-(phenylmethyl)-2-propan-2-yl-4-pyrrolo[2,3-d][1,3]oxazinone
IUPAC NAME: 7-benzyl-5,6-dimethyl-2-propan-2-ylpyrrolo[2,3-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 5,6-dimethyl-7-(phenylmethyl)-2-propan-2-yl-pyrrolo[2,3-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: CC1=C(N(C2=C1C(=O)OC(=N2)C(C)C)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 7-benzyl-2-butyl-5,6-dimethyl-pyrrolo[2,3-d][1,3]oxazin-4-one
CAS Name: 2-butyl-5,6-dimethyl-7-(phenylmethyl)-4-pyrrolo[2,3-d][1,3]oxazinone
IUPAC NAME: 7-benzyl-2-butyl-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 2-butyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C19H22N2O2
MOLECULAR WEIGHT: 310.39018
SMILES: CCCCC1=NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C(=O)O1
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Product OPENEYE NAME: 7-benzyl-2-hexyl-5,6-dimethyl-pyrrolo[2,3-d][1,3]oxazin-4-one
CAS Name: 2-hexyl-5,6-dimethyl-7-(phenylmethyl)-4-pyrrolo[2,3-d][1,3]oxazinone
IUPAC NAME: 7-benzyl-2-hexyl-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 2-hexyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C21H26N2O2
MOLECULAR WEIGHT: 338.44334
SMILES: CCCCCCC1=NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C(=O)O1
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Product OPENEYE NAME: 7-benzyl-5,6-dimethyl-2-propyl-pyrrolo[2,3-d][1,3]oxazin-4-one
CAS Name: 5,6-dimethyl-7-(phenylmethyl)-2-propyl-4-pyrrolo[2,3-d][1,3]oxazinone
IUPAC NAME: 7-benzyl-5,6-dimethyl-2-propylpyrrolo[2,3-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 5,6-dimethyl-7-(phenylmethyl)-2-propyl-pyrrolo[2,3-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: CCCC1=NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C(=O)O1
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Product OPENEYE NAME: 7-benzyl-2-ethyl-5,6-dimethyl-pyrrolo[2,3-d][1,3]oxazin-4-one
CAS Name: 2-ethyl-5,6-dimethyl-7-(phenylmethyl)-4-pyrrolo[2,3-d][1,3]oxazinone
IUPAC NAME: 7-benzyl-2-ethyl-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 2-ethyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: CCC1=NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C(=O)O1
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Product OPENEYE NAME: 7-benzyl-2-(3-chlorophenyl)-5,6-dimethyl-pyrrolo[2,3-d][1,3]oxazin-4-one
CAS Name: 2-(3-chlorophenyl)-5,6-dimethyl-7-(phenylmethyl)-4-pyrrolo[2,3-d][1,3]oxazinone
IUPAC NAME: 7-benzyl-2-(3-chlorophenyl)-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 2-(3-chlorophenyl)-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C21H17ClN2O2
MOLECULAR WEIGHT: 364.82488
SMILES: CC1=C(N(C2=C1C(=O)OC(=N2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4)C
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Product OPENEYE NAME: 7-benzyl-5,6-dimethyl-2-(trifluoromethyl)pyrrolo[2,3-d][1,3]oxazin-4-one
CAS Name: 5,6-dimethyl-7-(phenylmethyl)-2-(trifluoromethyl)-4-pyrrolo[2,3-d][1,3]oxazinone
IUPAC NAME: 7-benzyl-5,6-dimethyl-2-(trifluoromethyl)pyrrolo[2,3-d][1,3]oxazin-4-one
SYSTEMATIC NAME: 5,6-dimethyl-7-(phenylmethyl)-2-(trifluoromethyl)pyrrolo[2,3-d][1,3]oxazin-4-one
MOLECULAR FORMULA: C16H13F3N2O2
MOLECULAR WEIGHT: 322.28183
SMILES: CC1=C(N(C2=C1C(=O)OC(=N2)C(F)(F)F)CC3=CC=CC=C3)C
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Product OPENEYE NAME: tert-butyl 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: tert-butyl 2-[(3-chlorophenyl)carbonylamino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate
MOLECULAR FORMULA: C25H27ClN2O3
MOLECULAR WEIGHT: 438.94648
SMILES: CC1=C(N(C(=C1C(=O)OC(C)(C)C)NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C
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Product OPENEYE NAME: tert-butyl 2-benzamido-1-benzyl-4,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 2-benzamido-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-benzamido-1-benzyl-4,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: tert-butyl 2-benzamido-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate
MOLECULAR FORMULA: C25H28N2O3
MOLECULAR WEIGHT: 404.50142
SMILES: CC1=C(N(C(=C1C(=O)OC(C)(C)C)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid
CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid
IUPAC NAME: 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethylpyrrole-3-carboxylic acid
SYSTEMATIC NAME: 2-[(3-chlorophenyl)carbonylamino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C21H19ClN2O3
MOLECULAR WEIGHT: 382.84016
SMILES: CC1=C(N(C(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 2-benzamido-1-benzyl-4,5-dimethyl-pyrrole-3-carboxylic acid
CAS Name: 2-benzamido-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid
IUPAC NAME: 2-benzamido-1-benzyl-4,5-dimethylpyrrole-3-carboxylic acid
SYSTEMATIC NAME: 2-benzamido-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C21H20N2O3
MOLECULAR WEIGHT: 348.3951
SMILES: CC1=C(N(C(=C1C(=O)O)NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 1-benzyl-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pyrrole-3-carboxylic acid
CAS Name: 4,5-dimethyl-1-(phenylmethyl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-pyrrolecarboxylic acid
IUPAC NAME: 1-benzyl-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pyrrole-3-carboxylic acid
SYSTEMATIC NAME: 4,5-dimethyl-1-(phenylmethyl)-2-[2,2,2-tris(fluoranyl)ethanoylamino]pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C16H15F3N2O3
MOLECULAR WEIGHT: 340.29711
SMILES: CC1=C(N(C(=C1C(=O)O)NC(=O)C(F)(F)F)CC2=CC=CC=C2)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: C1CC(=O)NC(=O)C2=C1C3C=CC2C(=O)NC3=O
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Product OPENEYE NAME: methyl (Z)-2-cyano-3-(4-nitrophenyl)but-2-enoate
CAS Name: (Z)-2-cyano-3-(4-nitrophenyl)-2-butenoic acid methyl ester
IUPAC NAME: methyl (Z)-2-cyano-3-(4-nitrophenyl)but-2-enoate
SYSTEMATIC NAME: methyl (Z)-2-cyano-3-(4-nitrophenyl)but-2-enoate
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: C/C(=C(\C#N)/C(=O)OC)/C1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: methyl (3R,4R,5S)-3-(4-chlorophenyl)-4-cyano-3,5-dimethyl-5-phenyl-pyrazole-4-carboxylate
CAS Name: (3R,4R,5S)-3-(4-chlorophenyl)-4-cyano-3,5-dimethyl-5-phenyl-4-pyrazolecarboxylic acid methyl ester
IUPAC NAME: methyl (3R,4R,5S)-3-(4-chlorophenyl)-4-cyano-3,5-dimethyl-5-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: methyl (3R,4R,5S)-3-(4-chlorophenyl)-4-cyano-3,5-dimethyl-5-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C20H18ClN3O2
MOLECULAR WEIGHT: 367.82882
SMILES: C[C@@]1([C@@]([C@@](N=N1)(C)C2=CC=C(C=C2)Cl)(C#N)C(=O)OC)C3=CC=CC=C3
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Product OPENEYE NAME: 4-cyano-2,5-dimethyl-pyrazole-3-diazonium
CAS Name: 4-cyano-2,5-dimethyl-3-pyrazolediazonium
IUPAC NAME: 4-cyano-2,5-dimethylpyrazole-3-diazonium
SYSTEMATIC NAME: 4-cyano-2,5-dimethyl-pyrazole-3-diazonium
MOLECULAR FORMULA: C6H6N5+
MOLECULAR WEIGHT: 148.14534
SMILES: CC1=NN(C(=C1C#N)[N+]#N)C
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Product OPENEYE NAME: (8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
CAS Name: (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-spiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]ol
IUPAC NAME: (8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC5(CC[C@]34C)OCCO5
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Product OPENEYE NAME: N-(3-chloro-2-oxo-4-phenyl-azetidin-1-yl)-2-[(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]oxy-acetamide
CAS Name: N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-2-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-spiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]yl]oxy]acetamide
IUPAC NAME: N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-[(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]oxyacetamide
SYSTEMATIC NAME: N-(3-chloranyl-2-oxidanylidene-4-phenyl-azetidin-1-yl)-2-[(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]oxy-ethanamide
MOLECULAR FORMULA: C32H41ClN2O5
MOLECULAR WEIGHT: 569.13134
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCC(=O)NN4C(C(C4=O)Cl)C5=CC=CC=C5)CCC6=CC7(CC[C@]36C)OCCO7
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Product OPENEYE NAME: N-[3-chloro-2-(4-nitrophenyl)-4-oxo-azetidin-1-yl]-2-[(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]oxy-acetamide
CAS Name: N-[3-chloro-2-(4-nitrophenyl)-4-oxo-1-azetidinyl]-2-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-spiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]yl]oxy]acetamide
IUPAC NAME: N-[3-chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]-2-[(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]oxyacetamide
SYSTEMATIC NAME: N-[3-chloranyl-2-(4-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]-2-[(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]oxy-ethanamide
MOLECULAR FORMULA: C32H40ClN3O7
MOLECULAR WEIGHT: 614.1289
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCC(=O)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)[N+](=O)[O-])CCC6=CC7(CC[C@]36C)OCCO7
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Product OPENEYE NAME: ethyl (4R,5R)-3-(3,5-dichloro-2,4,6-trimethyl-phenyl)-5-phenyl-4,5-dihydroisoxazole-4-carboxylate
CAS Name: (4R,5R)-3-(3,5-dichloro-2,4,6-trimethylphenyl)-5-phenyl-4,5-dihydroisoxazole-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R,5R)-3-(3,5-dichloro-2,4,6-trimethylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
SYSTEMATIC NAME: ethyl (4R,5R)-3-[3,5-bis(chloranyl)-2,4,6-trimethyl-phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
MOLECULAR FORMULA: C21H21Cl2NO3
MOLECULAR WEIGHT: 406.30234
SMILES: CCOC(=O)[C@H]1[C@@H](ON=C1C2=C(C(=C(C(=C2C)Cl)C)Cl)C)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl (4R,5R)-3-(3,5-dichloro-2,4,6-trimethyl-phenyl)-5-(2-methoxyphenyl)-4,5-dihydroisoxazole-4-carboxylate
CAS Name: (4R,5R)-3-(3,5-dichloro-2,4,6-trimethylphenyl)-5-(2-methoxyphenyl)-4,5-dihydroisoxazole-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R,5R)-3-(3,5-dichloro-2,4,6-trimethylphenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
SYSTEMATIC NAME: ethyl (4R,5R)-3-[3,5-bis(chloranyl)-2,4,6-trimethyl-phenyl]-5-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
MOLECULAR FORMULA: C22H23Cl2NO4
MOLECULAR WEIGHT: 436.32832
SMILES: CCOC(=O)[C@H]1[C@@H](ON=C1C2=C(C(=C(C(=C2C)Cl)C)Cl)C)C3=CC=CC=C3OC
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