Monday, April 1, 2013

All Chemical Compounds Information



Product OPENEYE NAME: (5S,7R)-N-(4-fluorophenyl)-3-hydroxy-adamantane-1-carboxamide
CAS Name: (5S,7R)-N-(4-fluorophenyl)-3-hydroxy-1-adamantanecarboxamide
IUPAC NAME: (5S,7R)-N-(4-fluorophenyl)-3-hydroxyadamantane-1-carboxamide
SYSTEMATIC NAME: (5S,7R)-N-(4-fluorophenyl)-3-oxidanyl-adamantane-1-carboxamide
MOLECULAR FORMULA: C17H20FNO2
MOLECULAR WEIGHT: 289.344603
SMILES: C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2S)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
MOLECULAR FORMULA: C22H36N3O3S+
MOLECULAR WEIGHT: 422.60454
SMILES: C[C@H]1C[C@@H](CN(C1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C
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Product OPENEYE NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]propan-1-one
CAS Name: (2S)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1-propanone
IUPAC NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
SYSTEMATIC NAME: (2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
MOLECULAR FORMULA: C22H35N3O3S
MOLECULAR WEIGHT: 421.5966
SMILES: C[C@H]1C[C@@H](CN(C1)C(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C
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Product OPENEYE NAME: 2-[4-[2-(diisobutylamino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C24H42N4O2+2
MOLECULAR WEIGHT: 418.61588
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N(CC(C)C)CC(C)C
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Product OPENEYE NAME: 2-[4-[2-(diisobutylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C24H40N4O2
MOLECULAR WEIGHT: 416.6
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)N(CC(C)C)CC(C)C
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Product OPENEYE NAME: 1-(1-adamantylmethyl)-3-[(4-methoxyphenyl)methyl]thiourea
CAS Name: 1-(1-adamantylmethyl)-3-[(4-methoxyphenyl)methyl]thiourea
IUPAC NAME: 1-(1-adamantylmethyl)-3-[(4-methoxyphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-(1-adamantylmethyl)-3-[(4-methoxyphenyl)methyl]thiourea
MOLECULAR FORMULA: C20H28N2OS
MOLECULAR WEIGHT: 344.51412
SMILES: COC1=CC=C(C=C1)CNC(=S)NCC23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: 2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CAS Name: 2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylthio]ethyl]acetamide
IUPAC NAME: 2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SYSTEMATIC NAME: 2-(4-fluoranylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]ethanamide
MOLECULAR FORMULA: C17H17F2NO2S
MOLECULAR WEIGHT: 337.384186
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)COC2=CC=C(C=C2)F)F
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: 2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C20H34N4O2+2
MOLECULAR WEIGHT: 362.50956
SMILES: CC[C@@H](C)NC(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]piperazin-1-yl]acetamide
CAS Name: 2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C20H32N4O2
MOLECULAR WEIGHT: 360.49368
SMILES: CC[C@@H](C)NC(=O)CN1CCN(CC1)CC(=O)NC2=C(C=CC=C2C)C
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