Thursday, May 9, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(4-methyl-2-pyridyl)-2-pyrazol-1-yl-acetamide
CAS Name: N-(4-methyl-2-pyridinyl)-2-(1-pyrazolyl)acetamide
IUPAC NAME: N-(4-methylpyridin-2-yl)-2-pyrazol-1-ylacetamide
SYSTEMATIC NAME: N-(4-methylpyridin-2-yl)-2-pyrazol-1-yl-ethanamide
MOLECULAR FORMULA: C11H12N4O
MOLECULAR WEIGHT: 216.23918
SMILES: CC1=CC(=NC=C1)NC(=O)CN2C=CC=N2
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Product OPENEYE NAME: 2-pyrazol-1-yl-N-(2-pyridyl)acetamide
CAS Name: 2-(1-pyrazolyl)-N-(2-pyridinyl)acetamide
IUPAC NAME: 2-pyrazol-1-yl-N-pyridin-2-ylacetamide
SYSTEMATIC NAME: 2-pyrazol-1-yl-N-pyridin-2-yl-ethanamide
MOLECULAR FORMULA: C10H10N4O
MOLECULAR WEIGHT: 202.2126
SMILES: C1=CC=NC(=C1)NC(=O)CN2C=CC=N2
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Product OPENEYE NAME: N-(6-methyl-2-pyridyl)-2-pyrazol-1-yl-acetamide
CAS Name: N-(6-methyl-2-pyridinyl)-2-(1-pyrazolyl)acetamide
IUPAC NAME: N-(6-methylpyridin-2-yl)-2-pyrazol-1-ylacetamide
SYSTEMATIC NAME: N-(6-methylpyridin-2-yl)-2-pyrazol-1-yl-ethanamide
MOLECULAR FORMULA: C11H12N4O
MOLECULAR WEIGHT: 216.23918
SMILES: CC1=NC(=CC=C1)NC(=O)CN2C=CC=N2
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Product OPENEYE NAME: 2-methoxy-N-[[4-(morpholinomethyl)phenyl]methyl]acetamide
CAS Name: 2-methoxy-N-[[4-(4-morpholinylmethyl)phenyl]methyl]acetamide
IUPAC NAME: 2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SYSTEMATIC NAME: 2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]ethanamide
MOLECULAR FORMULA: C15H22N2O3
MOLECULAR WEIGHT: 278.34678
SMILES: COCC(=O)NCC1=CC=C(C=C1)CN2CCOCC2
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Product OPENEYE NAME: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-1-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazinyl]-1-propanone
IUPAC NAME: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C24H28N6O2
MOLECULAR WEIGHT: 432.51812
SMILES: CC1=CC(=NO1)CN2CCN(CC2)C(=O)CCC3=C(N4C(=C5C=CC=CC5=N4)N=C3C)C
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Product OPENEYE NAME: 3-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-N-methyl-benzamide
CAS Name: 3-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-N-methylbenzamide
IUPAC NAME: 3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
SYSTEMATIC NAME: 3-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-N-methyl-benzamide
MOLECULAR FORMULA: C15H15ClN2O2S2
MOLECULAR WEIGHT: 354.8748
SMILES: CNC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=C(S2)Cl
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Product OPENEYE NAME: [1-(1,3-benzoxazol-2-yl)-4-piperidyl]-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]methanone
CAS Name: [1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazinyl]methanone
IUPAC NAME: [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C22H27N5O3
MOLECULAR WEIGHT: 409.48148
SMILES: CC1=CC(=NO1)CN2CCN(CC2)C(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4
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Product OPENEYE NAME: N-tert-butyl-2-[4-(2-hydroxy-3-methoxy-benzoyl)-1,4-diazepan-1-ium-1-yl]acetamide
CAS Name: N-tert-butyl-2-[4-[(2-hydroxy-3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide
IUPAC NAME: N-tert-butyl-2-[4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-tert-butyl-2-[4-(3-methoxy-2-oxidanyl-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H30N3O4+
MOLECULAR WEIGHT: 364.4592
SMILES: CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=C(C(=CC=C2)OC)O
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Product OPENEYE NAME: N-tert-butyl-2-[4-(2-hydroxy-3-methoxy-benzoyl)-1,4-diazepan-1-yl]acetamide
CAS Name: N-tert-butyl-2-[4-[(2-hydroxy-3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide
IUPAC NAME: N-tert-butyl-2-[4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-1-yl]acetamide
SYSTEMATIC NAME: N-tert-butyl-2-[4-(3-methoxy-2-oxidanyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide
MOLECULAR FORMULA: C19H29N3O4
MOLECULAR WEIGHT: 363.45126
SMILES: CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=C(C(=CC=C2)OC)O
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Product OPENEYE NAME: N-tert-butyl-2-[4-(4-chloro-2-hydroxy-benzoyl)-1,4-diazepan-1-ium-1-yl]acetamide
CAS Name: N-tert-butyl-2-[4-[(4-chloro-2-hydroxyphenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide
IUPAC NAME: N-tert-butyl-2-[4-(4-chloro-2-hydroxybenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-tert-butyl-2-[4-(4-chloranyl-2-oxidanyl-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C18H27ClN3O3+
MOLECULAR WEIGHT: 368.87828
SMILES: CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)O
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Product OPENEYE NAME: N-tert-butyl-2-[4-(4-chloro-2-hydroxy-benzoyl)-1,4-diazepan-1-yl]acetamide
CAS Name: N-tert-butyl-2-[4-[(4-chloro-2-hydroxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide
IUPAC NAME: N-tert-butyl-2-[4-(4-chloro-2-hydroxybenzoyl)-1,4-diazepan-1-yl]acetamide
SYSTEMATIC NAME: N-tert-butyl-2-[4-(4-chloranyl-2-oxidanyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide
MOLECULAR FORMULA: C18H26ClN3O3
MOLECULAR WEIGHT: 367.87034
SMILES: CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)O
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Product OPENEYE NAME: N-cyclopentyl-N-methyl-1H-pyrrole-2-carboxamide
CAS Name: N-cyclopentyl-N-methyl-1H-pyrrole-2-carboxamide
IUPAC NAME: N-cyclopentyl-N-methyl-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: N-cyclopentyl-N-methyl-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CN(C1CCCC1)C(=O)C2=CC=CN2
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Product OPENEYE NAME: ethyl N-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]carbamate
CAS Name: N-[[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-oxomethyl]amino]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]carbamate
SYSTEMATIC NAME: ethyl N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonylamino]carbamate
MOLECULAR FORMULA: C13H13ClN4O3
MOLECULAR WEIGHT: 308.72032
SMILES: CCOC(=O)NNC(=O)C1=C(NN=C1)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: ethyl N-[[(2S)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]carbamate
CAS Name: N-[[(2S)-2-[[cyclohexyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]amino]carbamate
SYSTEMATIC NAME: ethyl N-[[(2S)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]carbamate
MOLECULAR FORMULA: C15H27N3O4
MOLECULAR WEIGHT: 313.39258
SMILES: CCOC(=O)NNC(=O)[C@H](C(C)C)NC(=O)C1CCCCC1
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Product OPENEYE NAME: ethyl N-[[(2R)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]carbamate
CAS Name: N-[[(2R)-2-[[cyclohexyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[[(2R)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]amino]carbamate
SYSTEMATIC NAME: ethyl N-[[(2R)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]carbamate
MOLECULAR FORMULA: C15H27N3O4
MOLECULAR WEIGHT: 313.39258
SMILES: CCOC(=O)NNC(=O)[C@@H](C(C)C)NC(=O)C1CCCCC1
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Product OPENEYE NAME: N-(cyclopropylmethyl)-1-hydroxy-N-propyl-naphthalene-2-carboxamide
CAS Name: N-(cyclopropylmethyl)-1-hydroxy-N-propyl-2-naphthalenecarboxamide
IUPAC NAME: N-(cyclopropylmethyl)-1-hydroxy-N-propylnaphthalene-2-carboxamide
SYSTEMATIC NAME: N-(cyclopropylmethyl)-1-oxidanyl-N-propyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CCCN(CC1CC1)C(=O)C2=C(C3=CC=CC=C3C=C2)O
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Product OPENEYE NAME: methyl 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl]-methyl-amino]acetate
CAS Name: 2-[[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-oxomethyl]-methylamino]acetic acid methyl ester
IUPAC NAME: methyl 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl]-methylamino]acetate
SYSTEMATIC NAME: methyl 2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]carbonyl-methyl-amino]ethanoate
MOLECULAR FORMULA: C17H18FN3O3
MOLECULAR WEIGHT: 331.341523
SMILES: CN(CC(=O)OC)C(=O)C1=NN(C2=C1CCC2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxo-ethyl]-N-methyl-thiazole-4-carboxamide
CAS Name: 2-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-thiazolecarboxamide
IUPAC NAME: 2-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-methyl-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C17H20ClN3O2S
MOLECULAR WEIGHT: 365.8776
SMILES: CCN(CC)C(=O)CN(C)C(=O)C1=CSC(=N1)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: azetidin-1-yl-(4,6-dimethyl-1H-indol-2-yl)methanone
CAS Name: 1-azetidinyl-(4,6-dimethyl-1H-indol-2-yl)methanone
IUPAC NAME: azetidin-1-yl-(4,6-dimethyl-1H-indol-2-yl)methanone
SYSTEMATIC NAME: azetidin-1-yl-(4,6-dimethyl-1H-indol-2-yl)methanone
MOLECULAR FORMULA: C14H16N2O
MOLECULAR WEIGHT: 228.28964
SMILES: CC1=CC(=C2C=C(NC2=C1)C(=O)N3CCC3)C
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Product OPENEYE NAME: 3-[(4-cyclohexylbenzoyl)amino]-N-methyl-benzamide
CAS Name: 3-[[(4-cyclohexylphenyl)-oxomethyl]amino]-N-methylbenzamide
IUPAC NAME: 3-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
SYSTEMATIC NAME: 3-[(4-cyclohexylphenyl)carbonylamino]-N-methyl-benzamide
MOLECULAR FORMULA: C21H24N2O2
MOLECULAR WEIGHT: 336.42746
SMILES: CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C3CCCCC3
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Product OPENEYE NAME: azetidin-1-yl-[3-methyl-6-[2-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridin-4-yl]methanone
CAS Name: 1-azetidinyl-[3-methyl-6-[2-(trifluoromethyl)phenyl]-4-isoxazolo[5,4-b]pyridinyl]methanone
IUPAC NAME: azetidin-1-yl-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SYSTEMATIC NAME: azetidin-1-yl-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
MOLECULAR FORMULA: C18H14F3N3O2
MOLECULAR WEIGHT: 361.31787
SMILES: CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3C(F)(F)F)C(=O)N4CCC4
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