Saturday, January 5, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 2-[(3S)-1-(2-pyridylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CAS Name: 2-[(3S)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C16H17N5
MOLECULAR WEIGHT: 279.33968
SMILES: C1CN(C[C@H]1C2=NC3=C(N2)C=CC=N3)CC4=CC=CC=N4
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Product OPENEYE NAME: 1-[4-[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-1-piperidyl]ethanone
CAS Name: 1-[4-[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-pyrrolidinyl]-1-piperidinyl]ethanone
IUPAC NAME: 1-[4-[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C17H23N5O
MOLECULAR WEIGHT: 313.39742
SMILES: CC(=O)N1CCC(CC1)N2CC[C@@H](C2)C3=NC4=C(N3)C=CC=N4
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Product OPENEYE NAME: 2-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CAS Name: 2-[(3S)-1-[(4-methylsulfonylphenyl)methyl]-3-pyrrolidinyl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 2-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C18H20N4O2S
MOLECULAR WEIGHT: 356.442
SMILES: CS(=O)(=O)C1=CC=C(C=C1)CN2CC[C@@H](C2)C3=NC4=C(N3)C=CC=N4
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Product OPENEYE NAME: 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-1,3-benzoxazole
CAS Name: 5-chloro-2-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole
IUPAC NAME: 2-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-1,3-benzoxazole
SYSTEMATIC NAME: 5-chloranyl-2-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C18H17ClN2O
MOLECULAR WEIGHT: 312.79338
SMILES: C1CN(C[C@H]1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4
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Product OPENEYE NAME: 2-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl-methyl-amino]ethanol
CAS Name: 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]amino]ethanol
IUPAC NAME: 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol
SYSTEMATIC NAME: 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]amino]ethanol
MOLECULAR FORMULA: C21H33N5O2
MOLECULAR WEIGHT: 387.51902
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN(C)CCO
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Product OPENEYE NAME: 3-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl-methyl-amino]propanenitrile
CAS Name: 3-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]amino]propanenitrile
IUPAC NAME: 3-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]propanenitrile
SYSTEMATIC NAME: 3-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]amino]propanenitrile
MOLECULAR FORMULA: C22H32N6O
MOLECULAR WEIGHT: 396.52908
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN(C)CCC#N
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CAS Name: 2-(3-methyl-4-imidazolyl)-5-[[(1S,4S,5S)-2-methyl-4-[(4-methyl-1-piperazinyl)methyl]-5-propan-2-yl-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(3-methylimidazol-4-yl)-5-[[(1S,4S,5S)-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3-methylimidazol-4-yl)-5-[[(1S,4S,5S)-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yl-cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C23H36N6O
MOLECULAR WEIGHT: 412.57154
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN4CCN(CC4)C
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Product OPENEYE NAME: 4-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl]morpholine
CAS Name: 4-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]morpholine
IUPAC NAME: 4-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine
SYSTEMATIC NAME: 4-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]morpholine
MOLECULAR FORMULA: C22H33N5O2
MOLECULAR WEIGHT: 399.52972
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN4CCOCC4
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-[(4-phenylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CAS Name: 2-(3-methyl-4-imidazolyl)-5-[[(1S,4S,5S)-2-methyl-4-[(4-phenyl-1-piperazinyl)methyl]-5-propan-2-yl-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(3-methylimidazol-4-yl)-5-[[(1S,4S,5S)-2-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3-methylimidazol-4-yl)-5-[[(1S,4S,5S)-2-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-5-propan-2-yl-cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C28H38N6O
MOLECULAR WEIGHT: 474.64092
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN4CCN(CC4)C5=CC=CC=C5
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Product OPENEYE NAME: 1-[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]-N-(3-pyridylmethyl)methanamine
CAS Name: 1-[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]-N-(3-pyridinylmethyl)methanamine
IUPAC NAME: 1-[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine
SYSTEMATIC NAME: 1-[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine
MOLECULAR FORMULA: C24H32N6O
MOLECULAR WEIGHT: 420.55048
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CNCC4=CN=CC=C4
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Product OPENEYE NAME: 1-[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]-N-(4-pyridylmethyl)methanamine
CAS Name: 1-[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]-N-(pyridin-4-ylmethyl)methanamine
IUPAC NAME: 1-[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-4-ylmethyl)methanamine
SYSTEMATIC NAME: 1-[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]-N-(pyridin-4-ylmethyl)methanamine
MOLECULAR FORMULA: C24H32N6O
MOLECULAR WEIGHT: 420.55048
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CNCC4=CC=NC=C4
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-(1-piperidylmethyl)cyclohex-2-en-1-yl]methyl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CAS Name: 2-(3-methyl-4-imidazolyl)-5-[[(1S,4S,5S)-2-methyl-4-(1-piperidinylmethyl)-5-propan-2-yl-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(3-methylimidazol-4-yl)-5-[[(1S,4S,5S)-2-methyl-4-(piperidin-1-ylmethyl)-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3-methylimidazol-4-yl)-5-[[(1S,4S,5S)-2-methyl-4-(piperidin-1-ylmethyl)-5-propan-2-yl-cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C23H35N5O
MOLECULAR WEIGHT: 397.5569
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN4CCCCC4
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Product OPENEYE NAME: [(2S)-1-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl]pyrrolidin-2-yl]methanol
CAS Name: [(2S)-1-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methyl-4-imidazolyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-2-pyrrolidinyl]methanol
IUPAC NAME: [(2S)-1-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyrrolidin-2-yl]methanol
SYSTEMATIC NAME: [(2S)-1-[[(1S,4S,6S)-3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]pyrrolidin-2-yl]methanol
MOLECULAR FORMULA: C23H35N5O2
MOLECULAR WEIGHT: 413.5563
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN4CCC[C@H]4CO
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CAS Name: 2-(3-methyl-4-imidazolyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(3-methylimidazol-4-yl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3-methylimidazol-4-yl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C26H36N8O
MOLECULAR WEIGHT: 476.61704
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CN4CCN(CC4)C5=NC=CC=N5
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