Tuesday, February 26, 2013

All Chemical Compounds Information



Product OPENEYE NAME: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester
IUPAC NAME: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H18N2O5
MOLECULAR WEIGHT: 390.38872
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC[C@@H](C)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(2S)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC[C@@H](C)C3=CC=CC=C3)C
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-benzyl-N-tert-butyl-propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-tert-butyl-N-(phenylmethyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-benzyl-N-tert-butylpropanamide
SYSTEMATIC NAME: (2R)-N-tert-butyl-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(phenylmethyl)propanamide
MOLECULAR FORMULA: C23H29NO4
MOLECULAR WEIGHT: 383.48066
SMILES: C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: N-(isopropylcarbamoyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C17H20N4O2S
MOLECULAR WEIGHT: 344.4313
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(=O)NC(C)C
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Product OPENEYE NAME: [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18ClNO5
MOLECULAR WEIGHT: 399.82432
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@H](C)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2R)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC[C@H](C)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(2R)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC[C@H](C)C3=CC=CC=C3)C
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-1-(4-benzyl-1-piperidyl)propan-1-one
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-1-(4-benzylpiperidin-1-yl)propan-1-one
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one
MOLECULAR FORMULA: C24H29NO4
MOLECULAR WEIGHT: 395.49136
SMILES: C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)C(=O)C)OC
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Product OPENEYE NAME: N-[(1S)-1,2-dimethylpropyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(2S)-3-methylbutan-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(2S)-3-methylbutan-2-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H23N3OS
MOLECULAR WEIGHT: 329.45972
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@@H](C)C(C)C
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