Thursday, December 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]acetamide
CAS Name: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]acetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(6-fluoranyl-1H-indol-3-yl)-2-oxidanylidene-N-[2-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)ethyl]ethanamide
MOLECULAR FORMULA: C25H33FN4O3
MOLECULAR WEIGHT: 456.552923
SMILES: C1CCC(CC1)CN(CC(=O)NCCN2CCCC2)C(=O)C(=O)C3=CNC4=C3C=CC(=C4)F
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Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-acetamide
CAS Name: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxoacetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxoacetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(6-fluoranyl-1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C22H25FN4O4
MOLECULAR WEIGHT: 428.456703
SMILES: COCC1=NOC(=N1)CN(CC2CCCCC2)C(=O)C(=O)C3=CNC4=C3C=CC(=C4)F
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Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-acetamide
CAS Name: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxoacetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxoacetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(6-methoxy-1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C23H28N4O5
MOLECULAR WEIGHT: 440.49222
SMILES: COCC1=NOC(=N1)CN(CC2CCCCC2)C(=O)C(=O)C3=CNC4=C3C=CC(=C4)OC
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C48H65Cl3O14
MOLECULAR WEIGHT: 972.3803
SMILES: CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3CC(C[C@@H](O3)C[C@@H]4CC(=C)C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)OC(=O)C5=C(C=C(C=C5Cl)Cl)Cl)O)[C@@H](C)O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C39H62O10
MOLECULAR WEIGHT: 690.90358
SMILES: CCCCCCCC(=O)O[C@H]1CC[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3CC(=C)C[C@@H](O3)C[C@@H]4CC(=C)C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)[C@@H](C)O
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MOLECULAR FORMULA: C39H62O10
MOLECULAR WEIGHT: 690.90358
SMILES: CCCCCCCC(=O)O[C@@H]1CC[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3CC(=C)C[C@@H](O3)C[C@@H]4CC(=C)C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)[C@@H](C)O
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Product OPENEYE NAME: N-[4-(dipropylamino)butyl]-5-iodanyl-pyridine-3-carboxamide
CAS Name: N-[4-(dipropylamino)butyl]-5-iodanyl-3-pyridinecarboxamide
IUPAC NAME: N-[4-(dipropylamino)butyl]-5-iodanylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[4-(dipropylamino)butyl]-5-iodanyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C16H26IN3O
MOLECULAR WEIGHT: 399.302738
SMILES: CCCN(CCC)CCCCNC(=O)C1=CC(=CN=C1)[123I]
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Product OPENEYE NAME: 5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 226.283209
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OC([2H])([2H])C2CNC(=O)O2)[2H])C
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Product OPENEYE NAME: 5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 232.32018
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OC([2H])([2H])C2CNC(=O)O2)[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 5-deuterio-5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 5-deuterio-5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 5-deuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-deuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 222.258562
SMILES: [2H]C1(CNC(=O)O1)COC2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-5-deuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-5-deuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-5-deuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-5-deuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 228.295532
SMILES: [2H]C1(CNC(=O)O1)COC2=CC(=CC(=C2)C([2H])([2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 5-deuterio-5-[(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 5-deuterio-5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 5-deuterio-5-[(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-deuterio-5-[(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 225.277047
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OCC2(CNC(=O)O2)[2H])[2H])C
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Product OPENEYE NAME: 5-deuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 5-deuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 5-deuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-deuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 231.314018
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OCC2(CNC(=O)O2)[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 5-deuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 5-deuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 5-deuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-deuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 224.270885
SMILES: [2H]C1(CNC(=O)O1)C([2H])([2H])OC2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-5-deuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-5-deuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-5-deuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-5-deuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 230.307856
SMILES: [2H]C1(CNC(=O)O1)C([2H])([2H])OC2=CC(=CC(=C2)C([2H])([2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[(4-bromo-3,5-dimethyl-phenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(4-bromanyl-3,5-dimethyl-phenoxy)methyl]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H14Br3N3O2
MOLECULAR WEIGHT: 544.03466
SMILES: CC1=CC(=CC(=C1Br)C)OCC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2,6-dibromo-4-[3-(9H-xanthen-9-yloxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-(9H-xanthen-9-yloxy)-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-(9H-xanthen-9-yloxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-(9H-xanthen-9-yloxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C22H13Br2N3O3
MOLECULAR WEIGHT: 527.16492
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)OC4=NNC(=C5C=C(C(=O)C(=C5)Br)Br)C=N4
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Product OPENEYE NAME: 4-[3-[(3-benzyloxyphenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-dibromo-cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[(3-phenylmethoxyphenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[(3-phenylmethoxyphenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[(3-phenylmethoxyphenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C23H17Br2N3O3
MOLECULAR WEIGHT: 543.20738
SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)COC3=NNC(=C4C=C(C(=O)C(=C4)Br)Br)C=N3
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Product OPENEYE NAME: 2,6-dibromo-4-[3-(2-phenylethoxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-(2-phenylethoxy)-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-(2-phenylethoxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-(2-phenylethoxy)-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H13Br2N3O2
MOLECULAR WEIGHT: 451.11202
SMILES: C1=CC=C(C=C1)CCOC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[2-(4-chlorophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[2-(4-chlorophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[2-(4-chlorophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[2-(4-chlorophenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H12Br2ClN3O2
MOLECULAR WEIGHT: 485.55708
SMILES: C1=CC(=CC=C1CCOC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2)Cl
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[3-(4-chlorophenyl)propoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[3-(4-chlorophenyl)propoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[3-(4-chlorophenyl)propoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[3-(4-chlorophenyl)propoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H14Br2ClN3O2
MOLECULAR WEIGHT: 499.58366
SMILES: C1=CC(=CC=C1CCCOC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2)Cl
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Product OPENEYE NAME: 2,6-dibromo-4-[3-[2-(p-tolyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dibromo-4-[3-[2-(4-methylphenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dibromo-4-[3-[2-(4-methylphenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-[3-[2-(4-methylphenyl)ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H15Br2N3O2
MOLECULAR WEIGHT: 465.1386
SMILES: CC1=CC=C(C=C1)CCOC2=NNC(=C3C=C(C(=O)C(=C3)Br)Br)C=N2
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Product OPENEYE NAME: 2-hydroxyethyl 5-[[(2R)-1-[4-(1-hydroxybutyl)phenyl]-5-oxo-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
CAS Name: 5-[[(2R)-1-[4-(1-hydroxybutyl)phenyl]-5-oxo-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 5-[[(2R)-1-[4-(1-hydroxybutyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 5-[[(2R)-1-[4-(1-oxidanylbutyl)phenyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C23H29NO6S
MOLECULAR WEIGHT: 447.54446
SMILES: CCCC(C1=CC=C(C=C1)N2[C@H](CCC2=O)COCC3=CC=C(S3)C(=O)OCCO)O
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