Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(2R,3R)-2,3-dibenzoyloxiran-2-yl]ethanone
CAS Name: 1-[(2R,3R)-2,3-dibenzoyl-2-oxiranyl]ethanone
IUPAC NAME: 1-[(2R,3R)-2,3-dibenzoyloxiran-2-yl]ethanone
SYSTEMATIC NAME: 1-[(2R,3R)-2,3-bis(phenylcarbonyl)oxiran-2-yl]ethanone
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: CC(=O)[C@]1([C@@H](O1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[(2S,3S)-3-acetyl-3-benzoyl-oxiran-2-yl]ethanone
CAS Name: 1-[(2S,3S)-3-acetyl-3-benzoyl-2-oxiranyl]ethanone
IUPAC NAME: 1-[(2S,3S)-3-acetyl-3-benzoyloxiran-2-yl]ethanone
SYSTEMATIC NAME: 1-[(2S,3S)-3-ethanoyl-3-(phenylcarbonyl)oxiran-2-yl]ethanone
MOLECULAR FORMULA: C13H12O4
MOLECULAR WEIGHT: 232.23198
SMILES: CC(=O)[C@@H]1[C@](O1)(C(=O)C)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 1-[(2S,3R)-2,3-dibenzoyloxiran-2-yl]ethanone
CAS Name: 1-[(2S,3R)-2,3-dibenzoyl-2-oxiranyl]ethanone
IUPAC NAME: 1-[(2S,3R)-2,3-dibenzoyloxiran-2-yl]ethanone
SYSTEMATIC NAME: 1-[(2S,3R)-2,3-bis(phenylcarbonyl)oxiran-2-yl]ethanone
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: CC(=O)[C@@]1([C@@H](O1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[(2R,3S)-3-acetyl-3-benzoyl-oxiran-2-yl]ethanone
CAS Name: 1-[(2R,3S)-3-acetyl-3-benzoyl-2-oxiranyl]ethanone
IUPAC NAME: 1-[(2R,3S)-3-acetyl-3-benzoyloxiran-2-yl]ethanone
SYSTEMATIC NAME: 1-[(2R,3S)-3-ethanoyl-3-(phenylcarbonyl)oxiran-2-yl]ethanone
MOLECULAR FORMULA: C13H12O4
MOLECULAR WEIGHT: 232.23198
SMILES: CC(=O)[C@H]1[C@](O1)(C(=O)C)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: methyl (2S,3R)-2,3-dibenzoyl-3-methyl-oxirane-2-carboxylate
CAS Name: (2S,3R)-2,3-dibenzoyl-3-methyl-2-oxiranecarboxylic acid methyl ester
IUPAC NAME: methyl (2S,3R)-2,3-dibenzoyl-3-methyloxirane-2-carboxylate
SYSTEMATIC NAME: methyl (2S,3R)-3-methyl-2,3-bis(phenylcarbonyl)oxirane-2-carboxylate
MOLECULAR FORMULA: C19H16O5
MOLECULAR WEIGHT: 324.32734
SMILES: C[C@@]1([C@](O1)(C(=O)C2=CC=CC=C2)C(=O)OC)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl (2S,3R)-2,3-dibenzoyl-3-methyl-oxirane-2-carboxylate
CAS Name: (2S,3R)-2,3-dibenzoyl-3-methyl-2-oxiranecarboxylic acid ethyl ester
IUPAC NAME: ethyl (2S,3R)-2,3-dibenzoyl-3-methyloxirane-2-carboxylate
SYSTEMATIC NAME: ethyl (2S,3R)-3-methyl-2,3-bis(phenylcarbonyl)oxirane-2-carboxylate
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CCOC(=O)[C@]1([C@](O1)(C)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl (1R,4S)-6-methyl-1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]hept-5-ene-5-carboxylate
CAS Name: (1R,4S)-6-methyl-1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]hept-5-ene-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (1R,4S)-6-methyl-1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]hept-5-ene-5-carboxylate
SYSTEMATIC NAME: ethyl (1R,4S)-6-methyl-1,4-diphenyl-2,3,7-trioxabicyclo[2.2.1]hept-5-ene-5-carboxylate
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CCOC(=O)C1=C([C@@]2(O[C@]1(OO2)C3=CC=CC=C3)C4=CC=CC=C4)C
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Product OPENEYE NAME: methyl (E)-2-benzoyl-3-methyl-4-oxo-4-phenyl-but-2-enoate
CAS Name: (E)-2-benzoyl-3-methyl-4-oxo-4-phenyl-2-butenoic acid methyl ester
IUPAC NAME: methyl (E)-2-benzoyl-3-methyl-4-oxo-4-phenylbut-2-enoate
SYSTEMATIC NAME: methyl (E)-3-methyl-4-oxidanylidene-4-phenyl-2-(phenylcarbonyl)but-2-enoate
MOLECULAR FORMULA: C19H16O4
MOLECULAR WEIGHT: 308.32794
SMILES: C/C(=C(/C(=O)C1=CC=CC=C1)\C(=O)OC)/C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: phenyl-[(3R,4S)-2,4,5-triphenyl-3,4-dihydropyrazol-3-yl]methanone
CAS Name: phenyl-[(3R,4S)-2,4,5-triphenyl-3,4-dihydropyrazol-3-yl]methanone
IUPAC NAME: phenyl-[(3R,4S)-2,4,5-triphenyl-3,4-dihydropyrazol-3-yl]methanone
SYSTEMATIC NAME: phenyl-[(3R,4S)-2,4,5-triphenyl-3,4-dihydropyrazol-3-yl]methanone
MOLECULAR FORMULA: C28H22N2O
MOLECULAR WEIGHT: 402.48708
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5
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Product OPENEYE NAME: (3R,4S)-3-benzoyl-N,2,4-triphenyl-3,4-dihydropyrazole-5-carboxamide
CAS Name: (3R,4S)-3-benzoyl-N,2,4-triphenyl-3,4-dihydropyrazole-5-carboxamide
IUPAC NAME: (3R,4S)-3-benzoyl-N,2,4-triphenyl-3,4-dihydropyrazole-5-carboxamide
SYSTEMATIC NAME: (3R,4S)-N,2,4-triphenyl-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxamide
MOLECULAR FORMULA: C29H23N3O2
MOLECULAR WEIGHT: 445.51182
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N(N=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5
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Product OPENEYE NAME: [(3R,4S)-5-methyl-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyrazol-3-yl]-phenyl-methanone
CAS Name: [(3R,4S)-5-methyl-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone
IUPAC NAME: [(3R,4S)-5-methyl-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone
SYSTEMATIC NAME: [(3R,4S)-5-methyl-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyrazol-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C23H19N3O3
MOLECULAR WEIGHT: 385.41526
SMILES: CC1=NN([C@H]([C@@H]1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: (3E)-3-[hydroxy-(thiazol-2-ylamino)methylene]-2,7-dimethyl-1,1-dioxo-pyrazolo[4,3-e]thiazin-4-one
CAS Name: (3E)-3-[hydroxy-(2-thiazolylamino)methylidene]-2,7-dimethyl-1,1-dioxo-4-pyrazolo[4,3-e]thiazinone
IUPAC NAME: (3E)-3-[hydroxy-(1,3-thiazol-2-ylamino)methylidene]-2,7-dimethyl-1,1-dioxopyrazolo[4,3-e]thiazin-4-one
SYSTEMATIC NAME: (3E)-2,7-dimethyl-1,1-bis(oxidanylidene)-3-[oxidanyl-(1,3-thiazol-2-ylamino)methylidene]pyrazolo[4,3-e][1,2]thiazin-4-one
MOLECULAR FORMULA: C11H11N5O4S2
MOLECULAR WEIGHT: 341.36614
SMILES: CN1C2=C(C=N1)C(=O)/C(=C(/NC3=NC=CS3)\O)/N(S2(=O)=O)C
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Product OPENEYE NAME: (3E)-3-[hydroxy-(thiazol-2-ylamino)methylene]-2,6-dimethyl-1,1-dioxo-pyrazolo[4,3-e]thiazin-4-one
CAS Name: (3E)-3-[hydroxy-(2-thiazolylamino)methylidene]-2,6-dimethyl-1,1-dioxo-4-pyrazolo[4,3-e]thiazinone
IUPAC NAME: (3E)-3-[hydroxy-(1,3-thiazol-2-ylamino)methylidene]-2,6-dimethyl-1,1-dioxopyrazolo[4,3-e]thiazin-4-one
SYSTEMATIC NAME: (3E)-2,6-dimethyl-1,1-bis(oxidanylidene)-3-[oxidanyl-(1,3-thiazol-2-ylamino)methylidene]pyrazolo[4,3-e][1,2]thiazin-4-one
MOLECULAR FORMULA: C11H11N5O4S2
MOLECULAR WEIGHT: 341.36614
SMILES: CN1C=C2C(=O)/C(=C(/NC3=NC=CS3)\O)/N(S(=O)(=O)C2=N1)C
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Product OPENEYE NAME: (3E)-7-benzyl-3-[hydroxy-(thiazol-2-ylamino)methylene]-2-methyl-1,1-dioxo-pyrazolo[4,3-e]thiazin-4-one
CAS Name: (3E)-3-[hydroxy-(2-thiazolylamino)methylidene]-2-methyl-1,1-dioxo-7-(phenylmethyl)-4-pyrazolo[4,3-e]thiazinone
IUPAC NAME: (3E)-7-benzyl-3-[hydroxy-(1,3-thiazol-2-ylamino)methylidene]-2-methyl-1,1-dioxopyrazolo[4,3-e]thiazin-4-one
SYSTEMATIC NAME: (3E)-2-methyl-1,1-bis(oxidanylidene)-3-[oxidanyl-(1,3-thiazol-2-ylamino)methylidene]-7-(phenylmethyl)pyrazolo[4,3-e][1,2]thiazin-4-one
MOLECULAR FORMULA: C17H15N5O4S2
MOLECULAR WEIGHT: 417.4621
SMILES: CN1/C(=C(\NC2=NC=CS2)/O)/C(=O)C3=C(S1(=O)=O)N(N=C3)CC4=CC=CC=C4
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