Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-methyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-phenyl-propanamide
CAS Name: 2-methyl-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-phenylpropanamide
IUPAC NAME: 2-methyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-phenylpropanamide
SYSTEMATIC NAME: 2-methyl-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-phenyl-propanamide
MOLECULAR FORMULA: C22H31N2OS+
MOLECULAR WEIGHT: 371.55934
SMILES: CC1CC[NH+](CC1)[C@@H](CNC(=O)C(C)(C)C2=CC=CC=C2)C3=CC=CS3
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Product OPENEYE NAME: 2-methyl-N-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-2-phenyl-propanamide
CAS Name: 2-methyl-N-[(2S)-2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-2-phenylpropanamide
IUPAC NAME: 2-methyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-phenylpropanamide
SYSTEMATIC NAME: 2-methyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-2-phenyl-propanamide
MOLECULAR FORMULA: C22H30N2OS
MOLECULAR WEIGHT: 370.5514
SMILES: CC1CCN(CC1)[C@@H](CNC(=O)C(C)(C)C2=CC=CC=C2)C3=CC=CS3
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Product OPENEYE NAME: 2-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-phenyl-propanamide
CAS Name: 2-methyl-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-phenylpropanamide
IUPAC NAME: 2-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-phenylpropanamide
SYSTEMATIC NAME: 2-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-phenyl-propanamide
MOLECULAR FORMULA: C22H31N2OS+
MOLECULAR WEIGHT: 371.55934
SMILES: CC1CC[NH+](CC1)[C@H](CNC(=O)C(C)(C)C2=CC=CC=C2)C3=CC=CS3
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Product OPENEYE NAME: 2-methyl-N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-2-phenyl-propanamide
CAS Name: 2-methyl-N-[(2R)-2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-2-phenylpropanamide
IUPAC NAME: 2-methyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-phenylpropanamide
SYSTEMATIC NAME: 2-methyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-2-phenyl-propanamide
MOLECULAR FORMULA: C22H30N2OS
MOLECULAR WEIGHT: 370.5514
SMILES: CC1CCN(CC1)[C@H](CNC(=O)C(C)(C)C2=CC=CC=C2)C3=CC=CS3
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Product OPENEYE NAME: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CAS Name: N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
IUPAC NAME: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SYSTEMATIC NAME: N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,2,4-triazol-1-yl)ethanamide
MOLECULAR FORMULA: C16H22N5O+
MOLECULAR WEIGHT: 300.37878
SMILES: C1CC[NH+](C1)[C@H](CNC(=O)CN2C=NC=N2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CAS Name: N-[(2S)-2-phenyl-2-(1-pyrrolidinyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
IUPAC NAME: N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SYSTEMATIC NAME: N-[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]-2-(1,2,4-triazol-1-yl)ethanamide
MOLECULAR FORMULA: C16H21N5O
MOLECULAR WEIGHT: 299.37084
SMILES: C1CCN(C1)[C@H](CNC(=O)CN2C=NC=N2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
IUPAC NAME: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SYSTEMATIC NAME: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,2,4-triazol-1-yl)ethanamide
MOLECULAR FORMULA: C16H22N5O+
MOLECULAR WEIGHT: 300.37878
SMILES: C1CC[NH+](C1)[C@@H](CNC(=O)CN2C=NC=N2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidinyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
IUPAC NAME: N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SYSTEMATIC NAME: N-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]-2-(1,2,4-triazol-1-yl)ethanamide
MOLECULAR FORMULA: C16H21N5O
MOLECULAR WEIGHT: 299.37084
SMILES: C1CCN(C1)[C@@H](CNC(=O)CN2C=NC=N2)C3=CC=CC=C3
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Product OPENEYE NAME: N'-[(2E,4E)-hexa-2,4-dienoyl]-4-(2-naphthyloxymethyl)benzohydrazide
CAS Name: 4-(2-naphthalenyloxymethyl)-N'-[(2E,4E)-1-oxohexa-2,4-dienyl]benzohydrazide
IUPAC NAME: N'-[(2E,4E)-hexa-2,4-dienoyl]-4-(naphthalen-2-yloxymethyl)benzohydrazide
SYSTEMATIC NAME: N'-[(2E,4E)-hexa-2,4-dienoyl]-4-(naphthalen-2-yloxymethyl)benzohydrazide
MOLECULAR FORMULA: C24H22N2O3
MOLECULAR WEIGHT: 386.44308
SMILES: C/C=C/C=C/C(=O)NNC(=O)C1=CC=C(C=C1)COC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-pyrazole-4-carboxamide
CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1H-pyrazole-4-carboxamide
IUPAC NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1H-pyrazole-4-carboxamide
SYSTEMATIC NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-pyrazole-4-carboxamide
MOLECULAR FORMULA: C26H31N4O4+
MOLECULAR WEIGHT: 463.54874
SMILES: COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)[NH+]5CCCCC5
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Product OPENEYE NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1H-pyrazole-4-carboxamide
CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1H-pyrazole-4-carboxamide
IUPAC NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-pyrazole-4-carboxamide
SYSTEMATIC NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1H-pyrazole-4-carboxamide
MOLECULAR FORMULA: C26H30N4O4
MOLECULAR WEIGHT: 462.5408
SMILES: COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)N5CCCCC5
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Product OPENEYE NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-pyrazole-4-carboxamide
CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1H-pyrazole-4-carboxamide
IUPAC NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1H-pyrazole-4-carboxamide
SYSTEMATIC NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-pyrazole-4-carboxamide
MOLECULAR FORMULA: C26H31N4O4+
MOLECULAR WEIGHT: 463.54874
SMILES: COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)[NH+]5CCCCC5
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Product OPENEYE NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1H-pyrazole-4-carboxamide
CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1H-pyrazole-4-carboxamide
IUPAC NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-pyrazole-4-carboxamide
SYSTEMATIC NAME: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1H-pyrazole-4-carboxamide
MOLECULAR FORMULA: C26H30N4O4
MOLECULAR WEIGHT: 462.5408
SMILES: COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4)N5CCCCC5
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Product OPENEYE NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CAS Name: 4-(2-methoxyethylsulfamoyl)-N-[[(2R)-4-(phenylmethyl)-2-morpholinyl]methyl]benzamide
IUPAC NAME: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
SYSTEMATIC NAME: 4-(2-methoxyethylsulfamoyl)-N-[[(2R)-4-(phenylmethyl)morpholin-2-yl]methyl]benzamide
MOLECULAR FORMULA: C22H29N3O5S
MOLECULAR WEIGHT: 447.54776
SMILES: COCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC[C@@H]2CN(CCO2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CAS Name: 4-(2-methoxyethylsulfamoyl)-N-[[(2S)-4-(phenylmethyl)-2-morpholinyl]methyl]benzamide
IUPAC NAME: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
SYSTEMATIC NAME: 4-(2-methoxyethylsulfamoyl)-N-[[(2S)-4-(phenylmethyl)morpholin-2-yl]methyl]benzamide
MOLECULAR FORMULA: C22H29N3O5S
MOLECULAR WEIGHT: 447.54776
SMILES: COCCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC[C@H]2CN(CCO2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-methyl-1-phenyl-cyclobutanecarboxamide
CAS Name: N-methyl-1-phenyl-1-cyclobutanecarboxamide
IUPAC NAME: N-methyl-1-phenylcyclobutane-1-carboxamide
SYSTEMATIC NAME: N-methyl-1-phenyl-cyclobutane-1-carboxamide
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CNC(=O)C1(CCC1)C2=CC=CC=C2
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Product OPENEYE NAME: N-methyl-3-phenyl-furan-2-carboxamide
CAS Name: N-methyl-3-phenyl-2-furancarboxamide
IUPAC NAME: N-methyl-3-phenylfuran-2-carboxamide
SYSTEMATIC NAME: N-methyl-3-phenyl-furan-2-carboxamide
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: CNC(=O)C1=C(C=CO1)C2=CC=CC=C2
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Product OPENEYE NAME: N,2,4,5-tetramethylfuran-3-carboxamide
CAS Name: N,2,4,5-tetramethyl-3-furancarboxamide
IUPAC NAME: N,2,4,5-tetramethylfuran-3-carboxamide
SYSTEMATIC NAME: N,2,4,5-tetramethylfuran-3-carboxamide
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC1=C(OC(=C1C(=O)NC)C)C
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Product OPENEYE NAME: 3-(2,2-dimethylpropanoylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-benzamide
CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-N-[(4-ethoxyphenyl)methyl]-N-methylbenzamide
IUPAC NAME: 3-(2,2-dimethylpropanoylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylbenzamide
SYSTEMATIC NAME: 3-(2,2-dimethylpropanoylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-benzamide
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CCOC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=CC=C2)NC(=O)C(C)(C)C
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Product OPENEYE NAME: (3R)-1-[(5-methyl-2-thienyl)sulfonyl]-N-(2-thienylmethyl)piperidine-3-carboxamide
CAS Name: (3R)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-(thiophen-2-ylmethyl)-3-piperidinecarboxamide
IUPAC NAME: (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C16H20N2O3S3
MOLECULAR WEIGHT: 384.5366
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=CS3
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