Tuesday, April 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3-methylphenoxy)acetate
CAS Name: 2-(3-methylphenoxy)acetic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3-methylphenoxy)acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(3-methylphenoxy)ethanoate
MOLECULAR FORMULA: C21H21NO5
MOLECULAR WEIGHT: 367.39514
SMILES: CC1=CC(=CC=C1)OCC(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O
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Product OPENEYE NAME: ethyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate
CAS Name: 3-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester
IUPAC NAME: ethyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitrobenzoate
SYSTEMATIC NAME: ethyl 3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate
MOLECULAR FORMULA: C19H19FN2O5S
MOLECULAR WEIGHT: 406.427963
SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CC=C2F)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(1-adamantylmethyl)-3-(2-chloro-5-nitro-phenyl)thiourea
CAS Name: 1-(1-adamantylmethyl)-3-(2-chloro-5-nitrophenyl)thiourea
IUPAC NAME: 1-(1-adamantylmethyl)-3-(2-chloro-5-nitrophenyl)thiourea
SYSTEMATIC NAME: 1-(1-adamantylmethyl)-3-(2-chloranyl-5-nitro-phenyl)thiourea
MOLECULAR FORMULA: C18H22ClN3O2S
MOLECULAR WEIGHT: 379.90418
SMILES: C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: 2-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-[[(2S)-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-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]piperazin-1-yl]acetamide
CAS Name: 2-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-[[(2S)-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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Product OPENEYE NAME: 2-(6-ethylbenzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CAS Name: 2-(6-ethyl-3-benzofuranyl)-N-(4-fluorophenyl)acetamide
IUPAC NAME: 2-(6-ethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-(6-ethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C18H16FNO2
MOLECULAR WEIGHT: 297.323543
SMILES: CCC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-pyrazol-1-yl-benzamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-(1-pyrazolyl)benzamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-pyrazol-1-ylbenzamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-pyrazol-1-yl-benzamide
MOLECULAR FORMULA: C19H18FN3OS
MOLECULAR WEIGHT: 355.429123
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=C(C=C2)N3C=CC=N3)F
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Product OPENEYE NAME: N-butyl-2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-butyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-butyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-butyl-2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C20H34N4O2+2
MOLECULAR WEIGHT: 362.50956
SMILES: CCCCNC(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C)C
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Product OPENEYE NAME: N-butyl-2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]acetamide
CAS Name: N-butyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-butyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-butyl-2-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H32N4O2
MOLECULAR WEIGHT: 360.49368
SMILES: CCCCNC(=O)CN1CCN(CC1)CC(=O)NC2=C(C=CC=C2C)C
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