Thursday, December 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 3,5-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopropyl]-4-hydroxy-benzamide
CAS Name: 3,5-ditert-butyl-N-[1-[[(1,5-dimethyl-3-pyrazolyl)methylamino]-oxomethyl]cyclopropyl]-4-hydroxybenzamide
IUPAC NAME: 3,5-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopropyl]-4-hydroxybenzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopropyl]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C25H36N4O3
MOLECULAR WEIGHT: 440.57834
SMILES: CC1=CC(=NN1C)CNC(=O)C2(CC2)NC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-[(5-methylpyrazin-2-yl)methylcarbamoyl]cyclopropyl]benzamide
CAS Name: 3,5-ditert-butyl-4-hydroxy-N-[1-[[(5-methyl-2-pyrazinyl)methylamino]-oxomethyl]cyclopropyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-[(5-methylpyrazin-2-yl)methylcarbamoyl]cyclopropyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-N-[1-[(5-methylpyrazin-2-yl)methylcarbamoyl]cyclopropyl]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C25H34N4O3
MOLECULAR WEIGHT: 438.56246
SMILES: CC1=CN=C(C=N1)CNC(=O)C2(CC2)NC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-(2-pyridylcarbamoyl)cyclopropyl]benzamide
CAS Name: 3,5-ditert-butyl-4-hydroxy-N-[1-[oxo-(2-pyridinylamino)methyl]cyclopropyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-(pyridin-2-ylcarbamoyl)cyclopropyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-4-oxidanyl-N-[1-(pyridin-2-ylcarbamoyl)cyclopropyl]benzamide
MOLECULAR FORMULA: C24H31N3O3
MOLECULAR WEIGHT: 409.52124
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2(CC2)C(=O)NC3=CC=CC=N3
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Product OPENEYE NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-[(5-methylpyrazin-2-yl)methylcarbamoyl]cyclohexyl]benzamide
CAS Name: 3,5-ditert-butyl-4-hydroxy-N-[1-[[(5-methyl-2-pyrazinyl)methylamino]-oxomethyl]cyclohexyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-hydroxy-N-[1-[(5-methylpyrazin-2-yl)methylcarbamoyl]cyclohexyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-N-[1-[(5-methylpyrazin-2-yl)methylcarbamoyl]cyclohexyl]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C28H40N4O3
MOLECULAR WEIGHT: 480.6422
SMILES: CC1=CN=C(C=N1)CNC(=O)C2(CCCCC2)NC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 3,5-dicyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide
CAS Name: 3,5-dicyclopropyl-N-[1-[[(1,5-dimethyl-3-pyrazolyl)methylamino]-oxomethyl]cyclohexyl]benzamide
IUPAC NAME: 3,5-dicyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide
SYSTEMATIC NAME: 3,5-dicyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C26H34N4O2
MOLECULAR WEIGHT: 434.57376
SMILES: CC1=CC(=NN1C)CNC(=O)C2(CCCCC2)NC(=O)C3=CC(=CC(=C3)C4CC4)C5CC5
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Product OPENEYE NAME: N-[1-(benzylcarbamoyl)cyclohexyl]-3-(1-cyano-1-methyl-ethyl)benzamide
CAS Name: 3-(2-cyanopropan-2-yl)-N-[1-[oxo-[(phenylmethyl)amino]methyl]cyclohexyl]benzamide
IUPAC NAME: N-[1-(benzylcarbamoyl)cyclohexyl]-3-(2-cyanopropan-2-yl)benzamide
SYSTEMATIC NAME: 3-(2-cyanopropan-2-yl)-N-[1-[(phenylmethyl)carbamoyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C25H29N3O2
MOLECULAR WEIGHT: 403.51666
SMILES: CC(C)(C#N)C1=CC=CC(=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 3-(1-cyano-1-methyl-ethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
CAS Name: 3-(2-cyanopropan-2-yl)-N-[1-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]benzamide
IUPAC NAME: 3-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
SYSTEMATIC NAME: 3-(2-cyanopropan-2-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C26H28F3N3O2
MOLECULAR WEIGHT: 471.51463
SMILES: CC(C)(C#N)C1=CC=CC(=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 4-[2-(tert-butylamino)-1,1-dimethyl-2-oxo-ethyl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
CAS Name: 4-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]benzamide
IUPAC NAME: 4-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
SYSTEMATIC NAME: 4-[1-(tert-butylamino)-2-methyl-1-oxidanylidene-propan-2-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]benzamide
MOLECULAR FORMULA: C30H38F3N3O3
MOLECULAR WEIGHT: 545.63623
SMILES: CC(C)(C)NC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 2,6-ditert-butyl-N-[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylcarbamoyl]tetrahydropyran-4-yl]pyridine-4-carboxamide
CAS Name: 2,6-ditert-butyl-N-[4-[[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]methylamino]-oxomethyl]-4-oxanyl]-4-pyridinecarboxamide
IUPAC NAME: 2,6-ditert-butyl-N-[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylcarbamoyl]oxan-4-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2,6-ditert-butyl-N-[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylcarbamoyl]oxan-4-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C33H49N5O3
MOLECULAR WEIGHT: 563.77386
SMILES: CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)NC2(CCOCC2)C(=O)NCC3=CC=C(C=C3)CN4CCN(CC4)C
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Product OPENEYE NAME: 3,5-ditert-butyl-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclohexyl]benzamide
CAS Name: 3,5-ditert-butyl-4-methoxy-N-[1-[4-morpholinyl(oxo)methyl]cyclohexyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-4-methoxy-N-[1-(morpholine-4-carbonyl)cyclohexyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-4-methoxy-N-(1-morpholin-4-ylcarbonylcyclohexyl)benzamide
MOLECULAR FORMULA: C27H42N2O4
MOLECULAR WEIGHT: 458.63338
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C(=O)NC2(CCCCC2)C(=O)N3CCOCC3
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Product OPENEYE NAME: (E)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]hept-5-enoic acid
CAS Name: (E)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]-5-heptenoic acid
IUPAC NAME: (E)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2S,3R,5R)-5-chloranyl-3-oxidanyl-2-[4-[(1R)-1-oxidanylhexyl]phenyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C24H35ClO4
MOLECULAR WEIGHT: 422.9853
SMILES: CCCCC[C@H](C1=CC=C(C=C1)[C@H]2[C@@H](C[C@H]([C@@H]2C/C=C/CCCC(=O)O)Cl)O)O
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Product OPENEYE NAME: 5-[3-[(1S)-3-cyano-2-[4-(1-hydroxyhexyl)phenyl]cyclopent-2-en-1-yl]propyl]thiophene-2-carboxylic acid
CAS Name: 5-[3-[(1S)-3-cyano-2-[4-(1-hydroxyhexyl)phenyl]-1-cyclopent-2-enyl]propyl]-2-thiophenecarboxylic acid
IUPAC NAME: 5-[3-[(1S)-3-cyano-2-[4-(1-hydroxyhexyl)phenyl]cyclopent-2-en-1-yl]propyl]thiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[3-[(1S)-3-cyano-2-[4-(1-oxidanylhexyl)phenyl]cyclopent-2-en-1-yl]propyl]thiophene-2-carboxylic acid
MOLECULAR FORMULA: C26H31NO3S
MOLECULAR WEIGHT: 437.59424
SMILES: CCCCCC(C1=CC=C(C=C1)C2=C(CC[C@@H]2CCCC3=CC=C(S3)C(=O)O)C#N)O
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Product OPENEYE NAME: 2-[2-[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxo-pyrrolidin-2-yl]ethylsulfanyl]thiazole-4-carboxylic acid
CAS Name: 2-[2-[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxo-2-pyrrolidinyl]ethylthio]-4-thiazolecarboxylic acid
IUPAC NAME: 2-[2-[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
SYSTEMATIC NAME: 2-[2-[(2R)-1-[4-(1-oxidanylhexyl)phenyl]-5-oxidanylidene-pyrrolidin-2-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
MOLECULAR FORMULA: C22H28N2O4S2
MOLECULAR WEIGHT: 448.59872
SMILES: CCCCCC(C1=CC=C(C=C1)N2[C@H](CCC2=O)CCSC3=NC(=CS3)C(=O)O)O
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Product OPENEYE NAME: (Z)-7-[(1R,4S,5R)-5-[(E,3R)-5-(3-chlorobenzothiophen-2-yl)-3-hydroxy-pent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-enoic acid
CAS Name: (Z)-7-[(1R,4S,5R)-5-[(E,3R)-5-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]-5-heptenoic acid
IUPAC NAME: (Z)-7-[(1R,4S,5R)-5-[(E,3R)-5-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypent-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,4S,5R)-5-[(E,3R)-5-(3-chloranyl-1-benzothiophen-2-yl)-3-oxidanyl-pent-1-enyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C27H33ClO5S
MOLECULAR WEIGHT: 505.06592
SMILES: CC1([C@H]([C@@H]([C@H](C1=O)C/C=C\CCCC(=O)O)/C=C/[C@@H](CCC2=C(C3=CC=CC=C3S2)Cl)O)O)C
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Product OPENEYE NAME: (E)-7-[(1S,2S,3R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]hept-5-enoic acid
CAS Name: (E)-7-[(1S,2S,3R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]-5-heptenoic acid
IUPAC NAME: (E)-7-[(1S,2S,3R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[(1S,2S,3R)-5-chloranyl-3-oxidanyl-2-[4-[(1R)-1-oxidanylhexyl]phenyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C24H35ClO4
MOLECULAR WEIGHT: 422.9853
SMILES: CCCCC[C@H](C1=CC=C(C=C1)[C@H]2[C@@H](CC([C@H]2C/C=C/CCCC(=O)O)Cl)O)O
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Product OPENEYE NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(2,4-dichlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H25Cl3N4
MOLECULAR WEIGHT: 475.8411
SMILES: C1C[C@@H](C[C@H]1N2CCN(CC2)C3=CC=CC=C3Cl)N4C=CC(=N4)C5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 1-[(1S,3S)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
CAS Name: 1-[(1S,3S)-3-[3-(3,4-dichlorophenyl)-1-pyrazolyl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
IUPAC NAME: 1-[(1S,3S)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-[(1S,3S)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
MOLECULAR FORMULA: C25H28Cl2N4O
MOLECULAR WEIGHT: 471.42202
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CC[C@@H](C3)N4C=CC(=N4)C5=CC(=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 1-[(1S,3R)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
CAS Name: 1-[(1S,3R)-3-[3-(3,4-dichlorophenyl)-1-pyrazolyl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
IUPAC NAME: 1-[(1S,3R)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-[(1S,3R)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]-4-(4-methoxyphenyl)piperazine
MOLECULAR FORMULA: C25H28Cl2N4O
MOLECULAR WEIGHT: 471.42202
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CC[C@H](C3)N4C=CC(=N4)C5=CC(=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 1-[(4-chlorophenyl)methyl]-4-[(1S,3R)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-[(4-chlorophenyl)methyl]-4-[(1S,3R)-3-[3-(3,4-dichlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-[(4-chlorophenyl)methyl]-4-[(1S,3R)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]-4-[(1S,3R)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C25H27Cl3N4
MOLECULAR WEIGHT: 489.86768
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)CC3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=CC(=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 1-[(4-chlorophenyl)methyl]-4-[(1S,3S)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-[(4-chlorophenyl)methyl]-4-[(1S,3S)-3-[3-(3,4-dichlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-[(4-chlorophenyl)methyl]-4-[(1S,3S)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]-4-[(1S,3S)-3-[3-(3,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C25H27Cl3N4
MOLECULAR WEIGHT: 489.86768
SMILES: C1C[C@@H](C[C@H]1N2CCN(CC2)CC3=CC=C(C=C3)Cl)N4C=CC(=N4)C5=CC(=C(C=C5)Cl)Cl
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