Monday, December 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 5-chloro-2-[4-[(1S,2R)-2-[2-(4-pyrazol-1-ylphenoxy)ethyl]cyclopropyl]-1-piperidyl]pyrimidine
CAS Name: 5-chloro-2-[4-[(1S,2R)-2-[2-[4-(1-pyrazolyl)phenoxy]ethyl]cyclopropyl]-1-piperidinyl]pyrimidine
IUPAC NAME: 5-chloro-2-[4-[(1S,2R)-2-[2-(4-pyrazol-1-ylphenoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
SYSTEMATIC NAME: 5-chloranyl-2-[4-[(1S,2R)-2-[2-(4-pyrazol-1-ylphenoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
MOLECULAR FORMULA: C23H26ClN5O
MOLECULAR WEIGHT: 423.93844
SMILES: C1CN(CCC1[C@@H]2C[C@@H]2CCOC3=CC=C(C=C3)N4C=CC=N4)C5=NC=C(C=N5)Cl
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Product OPENEYE NAME: 5-chloro-2-[4-[(1S,2R)-2-[2-[4-(1,2,4-triazol-1-yl)phenoxy]ethyl]cyclopropyl]-1-piperidyl]pyrimidine
CAS Name: 5-chloro-2-[4-[(1S,2R)-2-[2-[4-(1,2,4-triazol-1-yl)phenoxy]ethyl]cyclopropyl]-1-piperidinyl]pyrimidine
IUPAC NAME: 5-chloro-2-[4-[(1S,2R)-2-[2-[4-(1,2,4-triazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
SYSTEMATIC NAME: 5-chloranyl-2-[4-[(1S,2R)-2-[2-[4-(1,2,4-triazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
MOLECULAR FORMULA: C22H25ClN6O
MOLECULAR WEIGHT: 424.9265
SMILES: C1CN(CCC1[C@@H]2C[C@@H]2CCOC3=CC=C(C=C3)N4C=NC=N4)C5=NC=C(C=N5)Cl
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Product OPENEYE NAME: 5-chloro-2-[4-[(1S,2R)-2-[2-[4-(1,2,4-triazol-4-yl)phenoxy]ethyl]cyclopropyl]-1-piperidyl]pyrimidine
CAS Name: 5-chloro-2-[4-[(1S,2R)-2-[2-[4-(1,2,4-triazol-4-yl)phenoxy]ethyl]cyclopropyl]-1-piperidinyl]pyrimidine
IUPAC NAME: 5-chloro-2-[4-[(1S,2R)-2-[2-[4-(1,2,4-triazol-4-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
SYSTEMATIC NAME: 5-chloranyl-2-[4-[(1S,2R)-2-[2-[4-(1,2,4-triazol-4-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
MOLECULAR FORMULA: C22H25ClN6O
MOLECULAR WEIGHT: 424.9265
SMILES: C1CN(CCC1[C@@H]2C[C@@H]2CCOC3=CC=C(C=C3)N4C=NN=C4)C5=NC=C(C=N5)Cl
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Product OPENEYE NAME: [1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-4-piperidyl] dihydrogen phosphate
CAS Name: [1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-4-piperidinyl] dihydrogen phosphate
IUPAC NAME: [1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]piperidin-4-yl] dihydrogen phosphate
SYSTEMATIC NAME: [1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]piperidin-4-yl] dihydrogen phosphate
MOLECULAR FORMULA: C28H34N3O7PS
MOLECULAR WEIGHT: 587.624221
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5CCC(CC5)OP(=O)(O)O)C
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Product OPENEYE NAME: 2-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2,2-trifluoroethyl)amino]ethanol
CAS Name: 2-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2,2-trifluoroethyl)amino]ethanol
IUPAC NAME: 2-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2,2-trifluoroethyl)amino]ethanol
SYSTEMATIC NAME: 2-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-[2,2,2-tris(fluoranyl)ethyl]amino]ethanol
MOLECULAR FORMULA: C28H30F3N3O4S
MOLECULAR WEIGHT: 561.61571
SMILES: CC1=CN=C2C(=C1)C3=C(C=CC(=C3N2)OCCCN(CCO)CC(F)(F)F)C4=CC(=CC=C4)S(=O)(=O)C5CC5
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Product OPENEYE NAME: 2-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2,2-trifluoroethyl)amino]ethanol
CAS Name: 2-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2,2-trifluoroethyl)amino]ethanol
IUPAC NAME: 2-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2,2-trifluoroethyl)amino]ethanol
SYSTEMATIC NAME: 2-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-[2,2,2-tris(fluoranyl)ethyl]amino]ethanol
MOLECULAR FORMULA: C27H30F3N3O4S
MOLECULAR WEIGHT: 549.60501
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN(CCO)CC(F)(F)F)C
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Product OPENEYE NAME: 2-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2-difluoroethyl)amino]ethanol
CAS Name: 2-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2-difluoroethyl)amino]ethanol
IUPAC NAME: 2-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-(2,2-difluoroethyl)amino]ethanol
SYSTEMATIC NAME: 2-[2,2-bis(fluoranyl)ethyl-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]amino]ethanol
MOLECULAR FORMULA: C28H31F2N3O4S
MOLECULAR WEIGHT: 543.625246
SMILES: CC1=CN=C2C(=C1)C3=C(C=CC(=C3N2)OCCCN(CCO)CC(F)F)C4=CC(=CC=C4)S(=O)(=O)C5CC5
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Product OPENEYE NAME: 2-[2,2-difluoroethyl-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]amino]ethanol
CAS Name: 2-[2,2-difluoroethyl-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]amino]ethanol
IUPAC NAME: 2-[2,2-difluoroethyl-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]amino]ethanol
SYSTEMATIC NAME: 2-[2,2-bis(fluoranyl)ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]amino]ethanol
MOLECULAR FORMULA: C27H31F2N3O4S
MOLECULAR WEIGHT: 531.614546
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN(CCO)CC(F)F)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H27N3O5
MOLECULAR WEIGHT: 521.56318
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)/C=C/C6=CC=C(C=C6)N(C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H26N2O7
MOLECULAR WEIGHT: 538.54734
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)/C=C/C6=C(C=CC(=C6)OC)OC
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Product OPENEYE NAME: N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptyl-benzamide
CAS Name: N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]-1-triazolyl]ethyl]-4-heptylbenzamide
IUPAC NAME: N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide
SYSTEMATIC NAME: N-[2-[4-[5-(2-azanyl-1H-imidazol-5-yl)pentyl]-1,2,3-triazol-1-yl]ethyl]-4-heptyl-benzamide
MOLECULAR FORMULA: C26H39N7O
MOLECULAR WEIGHT: 465.63416
SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)NCCN2C=C(N=N2)CCCCCC3=CN=C(N3)N
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Product OPENEYE NAME: 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-decyl-acetamide hydrochloride
CAS Name: 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-triazolyl]-N-decylacetamide hydrochloride
IUPAC NAME: 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-decylacetamide hydrochloride
SYSTEMATIC NAME: 2-[4-[3-(2-azanyl-1H-imidazol-5-yl)propyl]-1,2,3-triazol-1-yl]-N-decyl-ethanamide hydrochloride
MOLECULAR FORMULA: C20H36ClN7O
MOLECULAR WEIGHT: 425.99914
SMILES: CCCCCCCCCCNC(=O)CN1C=C(N=N1)CCCC2=CN=C(N2)N.Cl
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Product OPENEYE NAME: 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-decyl-acetamide
CAS Name: 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]-1-triazolyl]-N-decylacetamide
IUPAC NAME: 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-decylacetamide
SYSTEMATIC NAME: 2-[4-[3-(2-azanyl-1H-imidazol-5-yl)propyl]-1,2,3-triazol-1-yl]-N-decyl-ethanamide
MOLECULAR FORMULA: C20H35N7O
MOLECULAR WEIGHT: 389.5382
SMILES: CCCCCCCCCCNC(=O)CN1C=C(N=N1)CCCC2=CN=C(N2)N
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Product OPENEYE NAME: 2-[3-(3-chlorophenyl)-7-(4-methyl-4,8-diazaspiro[4.4]nonan-8-yl)-1-oxo-pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[3-(3-chlorophenyl)-7-(4-methyl-4,8-diazaspiro[4.4]nonan-8-yl)-1-oxo-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-(3-chlorophenyl)-7-(4-methyl-4,8-diazaspiro[4.4]nonan-8-yl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-(3-chlorophenyl)-7-(4-methyl-4,8-diazaspiro[4.4]nonan-8-yl)-1-oxidanylidene-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C26H32ClN5O2
MOLECULAR WEIGHT: 482.01758
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)N3CCC4(C3)CCCN4C)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME: 2-[3-(3-chlorophenyl)-7-[(1-methyl-4-piperidyl)oxy]-1-oxo-pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[3-(3-chlorophenyl)-7-[(1-methyl-4-piperidinyl)oxy]-1-oxo-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-(3-chlorophenyl)-7-(1-methylpiperidin-4-yl)oxy-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-(3-chlorophenyl)-7-(1-methylpiperidin-4-yl)oxy-1-oxidanylidene-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C24H29ClN4O3
MOLECULAR WEIGHT: 456.96506
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)OC3CCN(CC3)C)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-oxo-7-[3-(1-piperidyl)propoxy]pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-oxo-7-[3-(1-piperidinyl)propoxy]-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-methyl-1-oxidanylidene-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C28H34F4N4O3
MOLECULAR WEIGHT: 550.588173
SMILES: CC1=C(N(C(=O)C2=CC(=CN12)OCCCN3CCCCC3)CC(=O)NC(C)C)C4=CC(=C(C=C4)F)C(F)(F)F
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Product OPENEYE NAME: 2-[3-(3-chlorophenyl)-1-oxo-7-[3-[4-(trifluoromethyl)-1-piperidyl]propoxy]pyrrolo[1,2-a]pyrazin-2-yl]-N-isopropyl-acetamide
CAS Name: 2-[3-(3-chlorophenyl)-1-oxo-7-[3-[4-(trifluoromethyl)-1-piperidinyl]propoxy]-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-(3-chlorophenyl)-1-oxo-7-[3-[4-(trifluoromethyl)piperidin-1-yl]propoxy]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-(3-chlorophenyl)-1-oxidanylidene-7-[3-[4-(trifluoromethyl)piperidin-1-yl]propoxy]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C27H32ClF3N4O3
MOLECULAR WEIGHT: 553.01619
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)OCCCN3CCC(CC3)C(F)(F)F)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: N-cyclopropyl-2-[3-(3-methoxyphenyl)-1-oxo-7-[3-(1-piperidyl)propoxy]pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CAS Name: N-cyclopropyl-2-[3-(3-methoxyphenyl)-1-oxo-7-[3-(1-piperidinyl)propoxy]-2-pyrrolo[1,2-a]pyrazinyl]acetamide
IUPAC NAME: N-cyclopropyl-2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SYSTEMATIC NAME: N-cyclopropyl-2-[3-(3-methoxyphenyl)-1-oxidanylidene-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]ethanamide
MOLECULAR FORMULA: C27H34N4O4
MOLECULAR WEIGHT: 478.58326
SMILES: COC1=CC=CC(=C1)C2=CN3C=C(C=C3C(=O)N2CC(=O)NC4CC4)OCCCN5CCCCC5
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Product OPENEYE NAME: 1-(3,4-difluorophenyl)-3-[4-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CAS Name: 1-(3,4-difluorophenyl)-3-[4-[(8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]urea
IUPAC NAME: 1-(3,4-difluorophenyl)-3-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
SYSTEMATIC NAME: 1-[3,4-bis(fluoranyl)phenyl]-3-[4-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
MOLECULAR FORMULA: C23H18F2N4O3
MOLECULAR WEIGHT: 436.410826
SMILES: CC1=CC2=NC(=CC(=O)N2C=C1)COC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)F
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Product OPENEYE NAME: 1-(2,6-dichlorophenyl)-3-[4-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CAS Name: 1-(2,6-dichlorophenyl)-3-[4-[(8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]urea
IUPAC NAME: 1-(2,6-dichlorophenyl)-3-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-3-[4-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
MOLECULAR FORMULA: C23H18Cl2N4O3
MOLECULAR WEIGHT: 469.32002
SMILES: CC1=CC2=NC(=CC(=O)N2C=C1)COC3=CC=C(C=C3)NC(=O)NC4=C(C=CC=C4Cl)Cl
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