Wednesday, May 15, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[(R)-3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-furan-3-carboxamide
CAS Name: N-[(R)-3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-furancarboxamide
IUPAC NAME: N-[(R)-3H-benzimidazol-5-yl(phenyl)methyl]-2-methylfuran-3-carboxamide
SYSTEMATIC NAME: N-[(R)-3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-furan-3-carboxamide
MOLECULAR FORMULA: C20H17N3O2
MOLECULAR WEIGHT: 331.36788
SMILES: CC1=C(C=CO1)C(=O)N[C@H](C2=CC=CC=C2)C3=CC4=C(C=C3)N=CN4
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Product OPENEYE NAME: N-isopropyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CAS Name: 4-methoxy-N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide
IUPAC NAME: 4-methoxy-N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SYSTEMATIC NAME: 4-methoxy-N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
MOLECULAR FORMULA: C15H16F3N3O2
MOLECULAR WEIGHT: 327.30165
SMILES: CC(C)NC(=O)C1=NN(C=C1OC)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-yl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide
CAS Name: N-(1,3-benzodioxol-5-yl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxamide
IUPAC NAME: N-(1,3-benzodioxol-5-yl)-5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
MOLECULAR FORMULA: C18H13F3N4O3
MOLECULAR WEIGHT: 390.31603
SMILES: CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: methyl 2-[(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)methyl]furan-3-carboxylate
CAS Name: 2-[(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]methyl]furan-3-carboxylate
MOLECULAR FORMULA: C14H16N2O5
MOLECULAR WEIGHT: 292.28724
SMILES: COC(=O)C1=C(OC=C1)CN2C(=O)C3(CCCC3)NC2=O
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Product OPENEYE NAME: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-6-(2-furyl)-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide
CAS Name: 6-(2-furanyl)-3-methyl-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-isoxazolo[5,4-b]pyridinecarboxamide
IUPAC NAME: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: 6-(furan-2-yl)-3-methyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C23H23N4O3+
MOLECULAR WEIGHT: 403.45372
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N[C@@H]4CC[NH+](C4)CC5=CC=CC=C5
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Product OPENEYE NAME: N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(2-furyl)-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide
CAS Name: 6-(2-furanyl)-3-methyl-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-isoxazolo[5,4-b]pyridinecarboxamide
IUPAC NAME: N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: 6-(furan-2-yl)-3-methyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C23H22N4O3
MOLECULAR WEIGHT: 402.44578
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5
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Product OPENEYE NAME: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-6-(2-furyl)-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide
CAS Name: 6-(2-furanyl)-3-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-isoxazolo[5,4-b]pyridinecarboxamide
IUPAC NAME: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: 6-(furan-2-yl)-3-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C23H23N4O3+
MOLECULAR WEIGHT: 403.45372
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N[C@H]4CC[NH+](C4)CC5=CC=CC=C5
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Product OPENEYE NAME: N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2-furyl)-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide
CAS Name: 6-(2-furanyl)-3-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-4-isoxazolo[5,4-b]pyridinecarboxamide
IUPAC NAME: N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: 6-(furan-2-yl)-3-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C23H22N4O3
MOLECULAR WEIGHT: 402.44578
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5
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Product OPENEYE NAME: 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-[2-(N-ethyl-3-methyl-anilino)ethyl]propanamide
CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]propanamide
IUPAC NAME: 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]propanamide
SYSTEMATIC NAME: 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-[2-[ethyl-(3-methylphenyl)amino]ethyl]propanamide
MOLECULAR FORMULA: C22H28N4O2S
MOLECULAR WEIGHT: 412.54832
SMILES: CCN(CCNC(=O)CCN1C=NC2=C(C1=O)C(=C(S2)C)C)C3=CC=CC(=C3)C
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Product OPENEYE NAME: [2-[(4-fluorophenoxy)methyl]-4-methyl-thiazol-5-yl]-[(2R)-2-methylindolin-1-yl]methanone
CAS Name: [2-[(4-fluorophenoxy)methyl]-4-methyl-5-thiazolyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
IUPAC NAME: [2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SYSTEMATIC NAME: [2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
MOLECULAR FORMULA: C21H19FN2O2S
MOLECULAR WEIGHT: 382.451163
SMILES: C[C@@H]1CC2=CC=CC=C2N1C(=O)C3=C(N=C(S3)COC4=CC=C(C=C4)F)C
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Product OPENEYE NAME: [2-[(4-fluorophenoxy)methyl]-4-methyl-thiazol-5-yl]-[(2S)-2-methylindolin-1-yl]methanone
CAS Name: [2-[(4-fluorophenoxy)methyl]-4-methyl-5-thiazolyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
IUPAC NAME: [2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SYSTEMATIC NAME: [2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
MOLECULAR FORMULA: C21H19FN2O2S
MOLECULAR WEIGHT: 382.451163
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)C3=C(N=C(S3)COC4=CC=C(C=C4)F)C
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Product OPENEYE NAME: [4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(6-methyl-3-pyridyl)methanone
CAS Name: [4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-(6-methyl-3-pyridinyl)methanone
IUPAC NAME: [4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(6-methylpyridin-3-yl)methanone
SYSTEMATIC NAME: [4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(6-methylpyridin-3-yl)methanone
MOLECULAR FORMULA: C18H17ClF3N3O3S
MOLECULAR WEIGHT: 447.85909
SMILES: CC1=NC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: N-[(4-chlorophenyl)methyl]-3-pyrrol-1-yl-thiophene-2-carboxamide
CAS Name: N-[(4-chlorophenyl)methyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide
IUPAC NAME: N-[(4-chlorophenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-3-pyrrol-1-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C16H13ClN2OS
MOLECULAR WEIGHT: 316.80522
SMILES: C1=CN(C=C1)C2=C(SC=C2)C(=O)NCC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CAS Name: [(2R,6R)-2,6-dimethyl-4-morpholinyl]-[1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]methanone
IUPAC NAME: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SYSTEMATIC NAME: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]methanone
MOLECULAR FORMULA: C20H22N4O2
MOLECULAR WEIGHT: 350.41428
SMILES: C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4
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Product OPENEYE NAME: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CAS Name: [(2S,6R)-2,6-dimethyl-4-morpholinyl]-[1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]methanone
IUPAC NAME: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SYSTEMATIC NAME: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]methanone
MOLECULAR FORMULA: C20H22N4O2
MOLECULAR WEIGHT: 350.41428
SMILES: C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4
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Product OPENEYE NAME: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CAS Name: [(2S,6S)-2,6-dimethyl-4-morpholinyl]-[1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]methanone
IUPAC NAME: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SYSTEMATIC NAME: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]methanone
MOLECULAR FORMULA: C20H22N4O2
MOLECULAR WEIGHT: 350.41428
SMILES: C[C@H]1CN(C[C@@H](O1)C)C(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4
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Product OPENEYE NAME: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
CAS Name: [(2R,6R)-2,6-dimethyl-4-morpholinyl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
IUPAC NAME: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
SYSTEMATIC NAME: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
MOLECULAR FORMULA: C20H19F3N4O2S
MOLECULAR WEIGHT: 436.45067
SMILES: C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
CAS Name: [(2R,6S)-2,6-dimethyl-4-morpholinyl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
IUPAC NAME: [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
SYSTEMATIC NAME: [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
MOLECULAR FORMULA: C20H19F3N4O2S
MOLECULAR WEIGHT: 436.45067
SMILES: C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
CAS Name: [(2S,6S)-2,6-dimethyl-4-morpholinyl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
IUPAC NAME: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
SYSTEMATIC NAME: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
MOLECULAR FORMULA: C20H19F3N4O2S
MOLECULAR WEIGHT: 436.45067
SMILES: C[C@H]1CN(C[C@@H](O1)C)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: ethyl 5-(1-adamantylsulfamoyl)-1H-pyrazole-4-carboxylate
CAS Name: 5-(1-adamantylsulfamoyl)-1H-pyrazole-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(1-adamantylsulfamoyl)-1H-pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-(1-adamantylsulfamoyl)-1H-pyrazole-4-carboxylate
MOLECULAR FORMULA: C16H23N3O4S
MOLECULAR WEIGHT: 353.43652
SMILES: CCOC(=O)C1=C(NN=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3
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