Thursday, May 9, 2013

All Chemical Compounds Information




Product OPENEYE NAME: azetidin-1-yl-[6-(2-fluorophenyl)-3-methyl-isoxazolo[5,4-b]pyridin-4-yl]methanone
CAS Name: 1-azetidinyl-[6-(2-fluorophenyl)-3-methyl-4-isoxazolo[5,4-b]pyridinyl]methanone
IUPAC NAME: azetidin-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SYSTEMATIC NAME: azetidin-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
MOLECULAR FORMULA: C17H14FN3O2
MOLECULAR WEIGHT: 311.310363
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3F)C(=O)N4CCC4
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Product OPENEYE NAME: azetidin-1-yl-(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)methanone
CAS Name: 1-azetidinyl-(1,3-dimethyl-5-thieno[2,3-c]pyrazolyl)methanone
IUPAC NAME: azetidin-1-yl-(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)methanone
SYSTEMATIC NAME: azetidin-1-yl-(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)methanone
MOLECULAR FORMULA: C11H13N3OS
MOLECULAR WEIGHT: 235.30542
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)N3CCC3)C
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Product OPENEYE NAME: N-methyl-3-[(2-tetralin-6-ylacetyl)amino]benzamide
CAS Name: N-methyl-3-[[1-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]benzamide
IUPAC NAME: N-methyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]benzamide
SYSTEMATIC NAME: N-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]benzamide
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CNC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC3=C(CCCC3)C=C2
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Product OPENEYE NAME: azetidin-1-yl-[3-[(3,5-dimethylisoxazol-4-yl)methoxy]-2-naphthyl]methanone
CAS Name: 1-azetidinyl-[3-[(3,5-dimethyl-4-isoxazolyl)methoxy]-2-naphthalenyl]methanone
IUPAC NAME: azetidin-1-yl-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]methanone
SYSTEMATIC NAME: azetidin-1-yl-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]methanone
MOLECULAR FORMULA: C20H20N2O3
MOLECULAR WEIGHT: 336.3844
SMILES: CC1=C(C(=NO1)C)COC2=CC3=CC=CC=C3C=C2C(=O)N4CCC4
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Product OPENEYE NAME: azetidin-1-yl-[4-fluoro-3-(phenoxymethyl)benzothiophen-2-yl]methanone
CAS Name: 1-azetidinyl-[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]methanone
IUPAC NAME: azetidin-1-yl-[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]methanone
SYSTEMATIC NAME: azetidin-1-yl-[4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]methanone
MOLECULAR FORMULA: C19H16FNO2S
MOLECULAR WEIGHT: 341.399243
SMILES: C1CN(C1)C(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4
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Product OPENEYE NAME: N-[[4-(dimethylamino)phenyl]methyl]-N,1-diethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-[[4-(dimethylamino)phenyl]methyl]-N,1-diethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[[4-(dimethylamino)phenyl]methyl]-N,1-diethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[[4-(dimethylamino)phenyl]methyl]-N,1-diethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C24H27N5OS
MOLECULAR WEIGHT: 433.56908
SMILES: CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N(CC)CC4=CC=C(C=C4)N(C)C
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Product OPENEYE NAME: 3-(1H-benzimidazol-2-yl)-N-(2-benzylpyrazol-3-yl)propanamide
CAS Name: 3-(1H-benzimidazol-2-yl)-N-[2-(phenylmethyl)-3-pyrazolyl]propanamide
IUPAC NAME: 3-(1H-benzimidazol-2-yl)-N-(2-benzylpyrazol-3-yl)propanamide
SYSTEMATIC NAME: 3-(1H-benzimidazol-2-yl)-N-[2-(phenylmethyl)pyrazol-3-yl]propanamide
MOLECULAR FORMULA: C20H19N5O
MOLECULAR WEIGHT: 345.39776
SMILES: C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CCC3=NC4=CC=CC=C4N3
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Product OPENEYE NAME: N-[(S)-benzofuran-2-yl(phenyl)methyl]-2-methoxy-acetamide
CAS Name: N-[(S)-2-benzofuranyl(phenyl)methyl]-2-methoxyacetamide
IUPAC NAME: N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-methoxyacetamide
SYSTEMATIC NAME: N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-methoxy-ethanamide
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: COCC(=O)N[C@@H](C1=CC=CC=C1)C2=CC3=CC=CC=C3O2
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Product OPENEYE NAME: N-[(R)-benzofuran-2-yl(phenyl)methyl]-2-methoxy-acetamide
CAS Name: N-[(R)-2-benzofuranyl(phenyl)methyl]-2-methoxyacetamide
IUPAC NAME: N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-methoxyacetamide
SYSTEMATIC NAME: N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-methoxy-ethanamide
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: COCC(=O)N[C@H](C1=CC=CC=C1)C2=CC3=CC=CC=C3O2
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Product OPENEYE NAME: 3-[[4-(4-bromophenyl)thiazol-2-yl]carbamoyl]quinolin-2-olate
CAS Name: 3-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-oxomethyl]-2-quinolinolate
IUPAC NAME: 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]quinolin-2-olate
SYSTEMATIC NAME: 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]quinolin-2-olate
MOLECULAR FORMULA: C19H11BrN3O2S-
MOLECULAR WEIGHT: 425.27854
SMILES: C1=CC=C2C(=C1)C=C(C(=N2)[O-])C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: N-[4-(4-bromophenyl)thiazol-2-yl]-2-oxo-1H-quinoline-3-carboxamide
CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-2-oxo-1H-quinoline-3-carboxamide
IUPAC NAME: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-3-carboxamide
SYSTEMATIC NAME: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxidanylidene-1H-quinoline-3-carboxamide
MOLECULAR FORMULA: C19H12BrN3O2S
MOLECULAR WEIGHT: 426.28648
SMILES: C1=CC=C2C(=C1)C=C(C(=O)N2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: (6-chloro-2-methyl-3-quinolyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CAS Name: (6-chloro-2-methyl-3-quinolinyl)-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methanone
IUPAC NAME: (6-chloro-2-methylquinolin-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: (6-chloranyl-2-methyl-quinolin-3-yl)-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C17H17ClF3N3O
MOLECULAR WEIGHT: 371.78459
SMILES: CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CCN(CC3)CC(F)(F)F
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Product OPENEYE NAME: 7-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CAS Name: 7-[oxo-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 7-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 7-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C15H16F3N3O3
MOLECULAR WEIGHT: 343.30105
SMILES: C1CN(CCN1CC(F)(F)F)C(=O)C2=CC3=C(C=C2)NC(=O)CO3
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Product OPENEYE NAME: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]benzonitrile
CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]benzonitrile
IUPAC NAME: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]benzonitrile
SYSTEMATIC NAME: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]benzenecarbonitrile
MOLECULAR FORMULA: C21H24N3O2+
MOLECULAR WEIGHT: 350.43416
SMILES: COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=CC(=C3)C#N
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Product OPENEYE NAME: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile
CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile
IUPAC NAME: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile
SYSTEMATIC NAME: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC(=C3)C#N
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Product OPENEYE NAME: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-pyrazin-2-yl-methanone
CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(2-pyrazinyl)methanone
IUPAC NAME: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-pyrazin-2-ylmethanone
SYSTEMATIC NAME: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-pyrazin-2-yl-methanone
MOLECULAR FORMULA: C18H23N4O2+
MOLECULAR WEIGHT: 327.40082
SMILES: COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=NC=CN=C3
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