Sunday, November 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 5-chloro-N-[(3R)-5,5-difluoro-2-oxo-azepan-3-yl]-N-[(6-methoxy-3-pyridyl)methyl]thiophene-2-sulfonamide
CAS Name: 5-chloro-N-[(3R)-5,5-difluoro-2-oxo-3-azepanyl]-N-[(6-methoxy-3-pyridinyl)methyl]-2-thiophenesulfonamide
IUPAC NAME: 5-chloro-N-[(3R)-5,5-difluoro-2-oxoazepan-3-yl]-N-[(6-methoxypyridin-3-yl)methyl]thiophene-2-sulfonamide
SYSTEMATIC NAME: N-[(3R)-5,5-bis(fluoranyl)-2-oxidanylidene-azepan-3-yl]-5-chloranyl-N-[(6-methoxypyridin-3-yl)methyl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C17H18ClF2N3O4S2
MOLECULAR WEIGHT: 465.922326
SMILES: COC1=NC=C(C=C1)CN([C@@H]2CC(CCNC2=O)(F)F)S(=O)(=O)C3=CC=C(S3)Cl
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Product OPENEYE NAME: (1R,4S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-6,6-dichloro-N-(1-oxamoylbutyl)-3-azabicyclo[3.1.0]hexane-4-carboxamide
CAS Name: (1R,4S,5S)-N-(1-amino-1,2-dioxohexan-3-yl)-3-[(2S)-2-[[(tert-butylamino)-oxomethyl]amino]-2-cyclohexyl-1-oxoethyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-4-carboxamide
IUPAC NAME: (1R,4S,5S)-N-(1-amino-1,2-dioxohexan-3-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-4-carboxamide
SYSTEMATIC NAME: (1R,4S,5S)-N-[1-azanyl-1,2-bis(oxidanylidene)hexan-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-6,6-bis(chloranyl)-3-azabicyclo[3.1.0]hexane-4-carboxamide
MOLECULAR FORMULA: C25H39Cl2N5O5
MOLECULAR WEIGHT: 560.51366
SMILES: CCCC(C(=O)C(=O)N)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(Cl)Cl)CN1C(=O)[C@H](C3CCCCC3)NC(=O)NC(C)(C)C
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(2-oxoazocan-3-yl)benzenesulfonamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(2-oxo-3-azocanyl)benzenesulfonamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-(2-oxoazocan-3-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-N-(2-oxidanylideneazocan-3-yl)benzenesulfonamide
MOLECULAR FORMULA: C21H23ClN2O5S
MOLECULAR WEIGHT: 450.93572
SMILES: C1CCC(C(=O)NCC1)N(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[(1R,2S,4S)-4-(dimethylamino)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide
CAS Name: N-[(1R,2S,4S)-4-(dimethylamino)-2-[(hydroxyamino)-oxomethyl]cyclopentyl]-4-[(2-methyl-4-quinolinyl)methoxy]benzamide
IUPAC NAME: N-[(1R,2S,4S)-4-(dimethylamino)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SYSTEMATIC NAME: N-[(1R,2S,4S)-4-(dimethylamino)-2-(oxidanylcarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
MOLECULAR FORMULA: C26H30N4O4
MOLECULAR WEIGHT: 462.5408
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4C[C@H](C[C@@H]4C(=O)NO)N(C)C
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Product OPENEYE NAME: N-[(1R,2S,4S)-4-hydroxy-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide
CAS Name: N-[(1R,2S,4S)-4-hydroxy-2-[(hydroxyamino)-oxomethyl]cyclopentyl]-4-[(2-methyl-4-quinolinyl)methoxy]benzamide
IUPAC NAME: N-[(1R,2S,4S)-4-hydroxy-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SYSTEMATIC NAME: 4-[(2-methylquinolin-4-yl)methoxy]-N-[(1R,2S,4S)-4-oxidanyl-2-(oxidanylcarbamoyl)cyclopentyl]benzamide
MOLECULAR FORMULA: C24H25N3O5
MOLECULAR WEIGHT: 435.4724
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4C[C@H](C[C@@H]4C(=O)NO)O
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Product OPENEYE NAME: N-[(1R,2S,4R)-4-hydroxy-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide
CAS Name: N-[(1R,2S,4R)-4-hydroxy-2-[(hydroxyamino)-oxomethyl]cyclopentyl]-4-[(2-methyl-4-quinolinyl)methoxy]benzamide
IUPAC NAME: N-[(1R,2S,4R)-4-hydroxy-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SYSTEMATIC NAME: 4-[(2-methylquinolin-4-yl)methoxy]-N-[(1R,2S,4R)-4-oxidanyl-2-(oxidanylcarbamoyl)cyclopentyl]benzamide
MOLECULAR FORMULA: C24H25N3O5
MOLECULAR WEIGHT: 435.4724
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4C[C@@H](C[C@@H]4C(=O)NO)O
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Product OPENEYE NAME: 2-(2,5-diphenylpyrrol-1-yl)-N-[N'-[(2,3,4-trifluorophenyl)methyl]carbamimidoyl]acetamide
CAS Name: N-[amino-[(2,3,4-trifluorophenyl)methylimino]methyl]-2-(2,5-diphenyl-1-pyrrolyl)acetamide
IUPAC NAME: 2-(2,5-diphenylpyrrol-1-yl)-N-[N'-[(2,3,4-trifluorophenyl)methyl]carbamimidoyl]acetamide
SYSTEMATIC NAME: 2-(2,5-diphenylpyrrol-1-yl)-N-[N'-[[2,3,4-tris(fluoranyl)phenyl]methyl]carbamimidoyl]ethanamide
MOLECULAR FORMULA: C26H21F3N4O
MOLECULAR WEIGHT: 462.46635
SMILES: C1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCC3=C(C(=C(C=C3)F)F)F)N)C4=CC=CC=C4
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Product OPENEYE NAME: (4R,5S)-3-(4-fluorophenyl)-4-(2-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-3-(4-fluorophenyl)-4-(2-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(4-fluorophenyl)-4-(2-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(4-fluorophenyl)-4-(2-hydroxyphenyl)-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C24H22FNO4
MOLECULAR WEIGHT: 407.434183
SMILES: C1=CC=C(C=C1)CC[C@H]([C@@H]2[C@H](N(C(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=C4O)O
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Product OPENEYE NAME: (2S,3S,4S,5R,6S)-6-[4-[(4R,5S)-3-(4-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]-2-oxo-oxazolidin-4-yl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
CAS Name: (2S,3S,4S,5R,6S)-6-[4-[(4R,5S)-3-(4-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxo-4-oxazolidinyl]phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
IUPAC NAME: (2S,3S,4S,5R,6S)-6-[4-[(4R,5S)-3-(4-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxo-1,3-oxazolidin-4-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[4-[(4R,5S)-3-(4-fluorophenyl)-2-oxidanylidene-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-4-yl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C30H30FNO10
MOLECULAR WEIGHT: 583.558303
SMILES: C1=CC=C(C=C1)CC[C@H]([C@@H]2[C@H](N(C(=O)O2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O
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Product OPENEYE NAME: (4R,5S)-3-(4-fluorophenyl)-4-(3-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-3-(4-fluorophenyl)-4-(3-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(4-fluorophenyl)-4-(3-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(4-fluorophenyl)-4-(3-hydroxyphenyl)-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C24H22FNO4
MOLECULAR WEIGHT: 407.434183
SMILES: C1=CC=C(C=C1)CC[C@H]([C@@H]2[C@H](N(C(=O)O2)C3=CC=C(C=C3)F)C4=CC(=CC=C4)O)O
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Product OPENEYE NAME: 4-(4-chloro-2-methyl-phenoxy)-N-methyl-3-(methylaminomethyl)benzamide
CAS Name: 4-(4-chloro-2-methylphenoxy)-N-methyl-3-(methylaminomethyl)benzamide
IUPAC NAME: 4-(4-chloro-2-methylphenoxy)-N-methyl-3-(methylaminomethyl)benzamide
SYSTEMATIC NAME: 4-(4-chloranyl-2-methyl-phenoxy)-N-methyl-3-(methylaminomethyl)benzamide
MOLECULAR FORMULA: C17H19ClN2O2
MOLECULAR WEIGHT: 318.79796
SMILES: CC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)C(=O)NC)CNC
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Product OPENEYE NAME: 4-(4-chloro-2-methyl-phenoxy)-N,N-dimethyl-3-(methylaminomethyl)benzamide
CAS Name: 4-(4-chloro-2-methylphenoxy)-N,N-dimethyl-3-(methylaminomethyl)benzamide
IUPAC NAME: 4-(4-chloro-2-methylphenoxy)-N,N-dimethyl-3-(methylaminomethyl)benzamide
SYSTEMATIC NAME: 4-(4-chloranyl-2-methyl-phenoxy)-N,N-dimethyl-3-(methylaminomethyl)benzamide
MOLECULAR FORMULA: C18H21ClN2O2
MOLECULAR WEIGHT: 332.82454
SMILES: CC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)C(=O)N(C)C)CNC
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Product OPENEYE NAME: 1-[3-[[4-[(8-chloro-2-quinolyl)amino]-1-piperidyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[4-[(8-chloro-2-quinolinyl)amino]-1-piperidinyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[4-[(8-chloroquinolin-2-yl)amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[4-[(8-chloranylquinolin-2-yl)amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C25H31ClN4O
MOLECULAR WEIGHT: 438.99284
SMILES: CC(=O)N1C2CCCC1C=C(C2)CN3CCC(CC3)NC4=NC5=C(C=CC=C5Cl)C=C4
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Product OPENEYE NAME: 4-(4-chloro-2-methyl-phenoxy)-3-(methylaminomethyl)benzamide
CAS Name: 4-(4-chloro-2-methylphenoxy)-3-(methylaminomethyl)benzamide
IUPAC NAME: 4-(4-chloro-2-methylphenoxy)-3-(methylaminomethyl)benzamide
SYSTEMATIC NAME: 4-(4-chloranyl-2-methyl-phenoxy)-3-(methylaminomethyl)benzamide
MOLECULAR FORMULA: C16H17ClN2O2
MOLECULAR WEIGHT: 304.77138
SMILES: CC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)C(=O)N)CNC
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Product OPENEYE NAME: 1-[3-[[4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-1-piperidyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-1-piperidinyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C26H29F6N5O
MOLECULAR WEIGHT: 541.531779
SMILES: CC(=O)N1C2CCCC1C=C(C2)CN3CCC(CC3)NC4=NC5=C(C=C4)C(=CC(=N5)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-[3-[[4-(quinoxalin-2-ylamino)-1-piperidyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[4-(2-quinoxalinylamino)-1-piperidinyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[4-(quinoxalin-2-ylamino)piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[4-(quinoxalin-2-ylamino)piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C24H31N5O
MOLECULAR WEIGHT: 405.53584
SMILES: CC(=O)N1C2CCCC1C=C(C2)CN3CCC(CC3)NC4=NC5=CC=CC=C5N=C4
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Product OPENEYE NAME: 1-[3,5-di(thiazol-2-yl)phenyl]-3-[(1R,3R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-3-hydroxy-1-methyl-propyl]urea
CAS Name: 1-[3,5-bis(2-thiazolyl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]-4-hydroxybutan-2-yl]urea
IUPAC NAME: 1-[3,5-bis(1,3-thiazol-2-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]urea
SYSTEMATIC NAME: 1-[3,5-bis(1,3-thiazol-2-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-oxidanyl-butan-2-yl]urea
MOLECULAR FORMULA: C29H32FN5O2S2
MOLECULAR WEIGHT: 565.725083
SMILES: C[C@H](C[C@H](N1CCC[C@H](C1)CC2=CC=C(C=C2)F)O)NC(=O)NC3=CC(=CC(=C3)C4=NC=CS4)C5=NC=CS5
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Product OPENEYE NAME: 4-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CAS Name: 4-chloro-2-[[methyl(3-pyrrolidinyl)amino]methyl]benzonitrile
IUPAC NAME: 4-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
SYSTEMATIC NAME: 4-chloranyl-2-[[methyl(pyrrolidin-3-yl)amino]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C13H16ClN3
MOLECULAR WEIGHT: 249.73924
SMILES: CN(CC1=C(C=CC(=C1)Cl)C#N)C2CCNC2
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Product OPENEYE NAME: 2-[[azepan-4-yl(methyl)amino]methyl]-4-chloro-benzonitrile
CAS Name: 2-[[4-azepanyl(methyl)amino]methyl]-4-chlorobenzonitrile
IUPAC NAME: 2-[[azepan-4-yl(methyl)amino]methyl]-4-chlorobenzonitrile
SYSTEMATIC NAME: 2-[[azepan-4-yl(methyl)amino]methyl]-4-chloranyl-benzenecarbonitrile
MOLECULAR FORMULA: C15H20ClN3
MOLECULAR WEIGHT: 277.7924
SMILES: CN(CC1=C(C=CC(=C1)Cl)C#N)C2CCCNCC2
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Product OPENEYE NAME: 4-chloro-2-[[isobutyl(3-piperidyl)amino]methyl]benzonitrile
CAS Name: 4-chloro-2-[[2-methylpropyl(3-piperidinyl)amino]methyl]benzonitrile
IUPAC NAME: 4-chloro-2-[[2-methylpropyl(piperidin-3-yl)amino]methyl]benzonitrile
SYSTEMATIC NAME: 4-chloranyl-2-[[2-methylpropyl(piperidin-3-yl)amino]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C17H24ClN3
MOLECULAR WEIGHT: 305.84556
SMILES: CC(C)CN(CC1=C(C=CC(=C1)Cl)C#N)C2CCCNC2
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Product OPENEYE NAME: 6-benzyl-11H-indeno[1,2-c]isoquinolin-5-one
CAS Name: 6-(phenylmethyl)-11H-indeno[1,2-c]isoquinolin-5-one
IUPAC NAME: 6-benzyl-11H-indeno[1,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 6-(phenylmethyl)-11H-indeno[1,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C23H17NO
MOLECULAR WEIGHT: 323.38718
SMILES: C1C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5
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Product OPENEYE NAME: 4-chloro-2-[[N-(4-piperidyl)anilino]methyl]benzonitrile
CAS Name: 4-chloro-2-[[N-(4-piperidinyl)anilino]methyl]benzonitrile
IUPAC NAME: 4-chloro-2-[(N-piperidin-4-ylanilino)methyl]benzonitrile
SYSTEMATIC NAME: 4-chloranyl-2-[[phenyl(piperidin-4-yl)amino]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C19H20ClN3
MOLECULAR WEIGHT: 325.8352
SMILES: C1CNCCC1N(CC2=C(C=CC(=C2)Cl)C#N)C3=CC=CC=C3
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