Tuesday, April 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(3,3-dimethyl-2-oxo-azetidin-1-yl)-N,N-diethyl-acetamide
CAS Name: 2-(3,3-dimethyl-2-oxo-1-azetidinyl)-N,N-diethylacetamide
IUPAC NAME: 2-(3,3-dimethyl-2-oxoazetidin-1-yl)-N,N-diethylacetamide
SYSTEMATIC NAME: 2-(3,3-dimethyl-2-oxidanylidene-azetidin-1-yl)-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CCN(CC)C(=O)CN1CC(C1=O)(C)C
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Product OPENEYE NAME: ethyl 2-(3,3-dimethyl-2-oxo-azetidin-1-yl)-3-methyl-but-2-enoate
CAS Name: 2-(3,3-dimethyl-2-oxo-1-azetidinyl)-3-methyl-2-butenoic acid ethyl ester
IUPAC NAME: ethyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-methylbut-2-enoate
SYSTEMATIC NAME: ethyl 2-(3,3-dimethyl-2-oxidanylidene-azetidin-1-yl)-3-methyl-but-2-enoate
MOLECULAR FORMULA: C12H19NO3
MOLECULAR WEIGHT: 225.28416
SMILES: CCOC(=O)C(=C(C)C)N1CC(C1=O)(C)C
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Product OPENEYE NAME: ethyl (E)-3-[(3-chloro-2,2-dimethyl-propanoyl)amino]but-2-enoate
CAS Name: (E)-3-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[(3-chloro-2,2-dimethylpropanoyl)amino]but-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]but-2-enoate
MOLECULAR FORMULA: C11H18ClNO3
MOLECULAR WEIGHT: 247.71852
SMILES: CCOC(=O)/C=C(\C)/NC(=O)C(C)(C)CCl
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Product OPENEYE NAME: (2Z)-2-quinuclidin-3-ylideneethanol
CAS Name: (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanol
IUPAC NAME: (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanol
SYSTEMATIC NAME: (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethanol
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: C1CN2CCC1/C(=C/CO)/C2
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Product OPENEYE NAME: methyl 2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-yl)acetate
CAS Name: 2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-yl)acetic acid methyl ester
IUPAC NAME: methyl 2-(3-oxo-5H-[1,3]thiazolo[2,3-b]quinazolin-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(3-oxidanylidene-5H-[1,3]thiazolo[2,3-b]quinazolin-2-yl)ethanoate
MOLECULAR FORMULA: C13H12N2O3S
MOLECULAR WEIGHT: 276.31098
SMILES: COC(=O)CC1C(=O)N2CC3=CC=CC=C3N=C2S1
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Product OPENEYE NAME: (2Z)-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)acetic acid
CAS Name: (2Z)-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)acetic acid
IUPAC NAME: (2Z)-2-(3-oxo-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)acetic acid
SYSTEMATIC NAME: (2Z)-2-(3-oxidanylidene-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)ethanoic acid
MOLECULAR FORMULA: C12H8N2O3S
MOLECULAR WEIGHT: 260.26852
SMILES: C1C2=CC=CC=C2N=C3N1C(=O)/C(=C/C(=O)O)/S3
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Product OPENEYE NAME: (2Z)-N-benzyl-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)acetamide
CAS Name: (2Z)-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)-N-(phenylmethyl)acetamide
IUPAC NAME: (2Z)-N-benzyl-2-(3-oxo-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)acetamide
SYSTEMATIC NAME: (2Z)-2-(3-oxidanylidene-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C19H15N3O2S
MOLECULAR WEIGHT: 349.4063
SMILES: C1C2=CC=CC=C2N=C3N1C(=O)/C(=C/C(=O)NCC4=CC=CC=C4)/S3
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Product OPENEYE NAME: (2Z)-N-cyclohexyl-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)acetamide
CAS Name: (2Z)-N-cyclohexyl-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)acetamide
IUPAC NAME: (2Z)-N-cyclohexyl-2-(3-oxo-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)acetamide
SYSTEMATIC NAME: (2Z)-N-cyclohexyl-2-(3-oxidanylidene-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)ethanamide
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: C1CCC(CC1)NC(=O)/C=C\2/C(=O)N3CC4=CC=CC=C4N=C3S2
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Product OPENEYE NAME: (2Z)-N-allyl-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)acetamide
CAS Name: (2Z)-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)-N-prop-2-enylacetamide
IUPAC NAME: (2Z)-2-(3-oxo-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)-N-prop-2-enylacetamide
SYSTEMATIC NAME: (2Z)-2-(3-oxidanylidene-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C15H13N3O2S
MOLECULAR WEIGHT: 299.34762
SMILES: C=CCNC(=O)/C=C\1/C(=O)N2CC3=CC=CC=C3N=C2S1
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Product OPENEYE NAME: (2Z)-N-benzyl-N-tert-butyl-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)acetamide
CAS Name: (2Z)-N-tert-butyl-2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-ylidene)-N-(phenylmethyl)acetamide
IUPAC NAME: (2Z)-N-benzyl-N-tert-butyl-2-(3-oxo-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)acetamide
SYSTEMATIC NAME: (2Z)-N-tert-butyl-2-(3-oxidanylidene-5H-[1,3]thiazolo[2,3-b]quinazolin-2-ylidene)-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C23H23N3O2S
MOLECULAR WEIGHT: 405.51262
SMILES: CC(C)(C)N(CC1=CC=CC=C1)C(=O)/C=C\2/C(=O)N3CC4=CC=CC=C4N=C3S2
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Product OPENEYE NAME: ethyl 2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-yl)acetate
CAS Name: 2-(3-oxo-5H-thiazolo[2,3-b]quinazolin-2-yl)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(3-oxo-5H-[1,3]thiazolo[2,3-b]quinazolin-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3-oxidanylidene-5H-[1,3]thiazolo[2,3-b]quinazolin-2-yl)ethanoate
MOLECULAR FORMULA: C14H14N2O3S
MOLECULAR WEIGHT: 290.33756
SMILES: CCOC(=O)CC1C(=O)N2CC3=CC=CC=C3N=C2S1
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Product OPENEYE NAME: 2,4-dinitrobenzoyl isocyanate
CAS Name: (2,4-dinitrophenyl)-isocyanatomethanone
IUPAC NAME: 2,4-dinitrobenzoyl isocyanate
SYSTEMATIC NAME: (2,4-dinitrophenyl)-isocyanato-methanone
MOLECULAR FORMULA: C8H3N3O6
MOLECULAR WEIGHT: 237.12592
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N=C=O
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Product OPENEYE NAME: 5-(4-benzylpiperazine-1-carbonyl)indolin-2-one
CAS Name: 5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1,3-dihydroindol-2-one
IUPAC NAME: 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C20H21N3O2
MOLECULAR WEIGHT: 335.39964
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(=O)C4
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Product OPENEYE NAME: 5-(piperazine-1-carbonyl)indolin-2-one
CAS Name: 5-[oxo(1-piperazinyl)methyl]-1,3-dihydroindol-2-one
IUPAC NAME: 5-(piperazine-1-carbonyl)-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-piperazin-1-ylcarbonyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: C1CN(CCN1)C(=O)C2=CC3=C(C=C2)NC(=O)C3
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Product OPENEYE NAME: 5-(piperazine-1-carbonyl)indolin-2-one hydrochloride
CAS Name: 5-[oxo(1-piperazinyl)methyl]-1,3-dihydroindol-2-one hydrochloride
IUPAC NAME: 5-(piperazine-1-carbonyl)-1,3-dihydroindol-2-one hydrochloride
SYSTEMATIC NAME: 5-piperazin-1-ylcarbonyl-1,3-dihydroindol-2-one hydrochloride
MOLECULAR FORMULA: C13H16ClN3O2
MOLECULAR WEIGHT: 281.73804
SMILES: C1CN(CCN1)C(=O)C2=CC3=C(C=C2)NC(=O)C3.Cl
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Product OPENEYE NAME: 5-(4-acetylpiperazine-1-carbonyl)indolin-2-one
CAS Name: 5-[(4-acetyl-1-piperazinyl)-oxomethyl]-1,3-dihydroindol-2-one
IUPAC NAME: 5-(4-acetylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-(4-ethanoylpiperazin-1-yl)carbonyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(=O)C3
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Product OPENEYE NAME: 5-(4-benzoylpiperazine-1-carbonyl)indolin-2-one
CAS Name: 5-[(4-benzoyl-1-piperazinyl)-oxomethyl]-1,3-dihydroindol-2-one
IUPAC NAME: 5-(4-benzoylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C20H19N3O3
MOLECULAR WEIGHT: 349.38316
SMILES: C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(=O)C4
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Product OPENEYE NAME: 5-[4-(3-oxo-3-phenyl-propyl)piperazine-1-carbonyl]indolin-2-one
CAS Name: 5-[oxo-[4-(3-oxo-3-phenylpropyl)-1-piperazinyl]methyl]-1,3-dihydroindol-2-one
IUPAC NAME: 5-[4-(3-oxo-3-phenylpropyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-[4-(3-oxidanylidene-3-phenyl-propyl)piperazin-1-yl]carbonyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: C1CN(CCN1CCC(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(=O)C4
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Product OPENEYE NAME: 5-(4-isobutylpiperazine-1-carbonyl)indolin-2-one
CAS Name: 5-[[4-(2-methylpropyl)-1-piperazinyl]-oxomethyl]-1,3-dihydroindol-2-one
IUPAC NAME: 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-[4-(2-methylpropyl)piperazin-1-yl]carbonyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C17H23N3O2
MOLECULAR WEIGHT: 301.38342
SMILES: CC(C)CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(=O)C3
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Product OPENEYE NAME: 5-(4-isobutylpiperazine-1-carbonyl)indolin-2-one hydrochloride
CAS Name: 5-[[4-(2-methylpropyl)-1-piperazinyl]-oxomethyl]-1,3-dihydroindol-2-one hydrochloride
IUPAC NAME: 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one hydrochloride
SYSTEMATIC NAME: 5-[4-(2-methylpropyl)piperazin-1-yl]carbonyl-1,3-dihydroindol-2-one hydrochloride
MOLECULAR FORMULA: C17H24ClN3O2
MOLECULAR WEIGHT: 337.84436
SMILES: CC(C)CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(=O)C3.Cl
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Product OPENEYE NAME: 5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]indolin-2-one
CAS Name: 5-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-1,3-dihydroindol-2-one
IUPAC NAME: 5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC(=O)C4
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