Thursday, January 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CAS Name: 1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-2-pyrrolidinecarboxamide
IUPAC NAME: 1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-ylmethyl)-1-ethanoyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C15H17N3O2S
MOLECULAR WEIGHT: 303.37938
SMILES: CC(=O)N1CCCC1C(=O)NCC2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 1-(2-furylmethyl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CAS Name: 1-(2-furanylmethyl)-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: 1-(furan-2-ylmethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C17H20N2O3S
MOLECULAR WEIGHT: 332.4173
SMILES: CC1=C(SC=C1)CN(C)C(=O)C2CC(=O)N(C2)CC3=CC=CO3
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Product OPENEYE NAME: 3-(2-furyl)-N-(3-oxo-3-pyrrolidin-1-yl-propyl)propanamide
CAS Name: 3-(2-furanyl)-N-[3-oxo-3-(1-pyrrolidinyl)propyl]propanamide
IUPAC NAME: 3-(furan-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SYSTEMATIC NAME: 3-(furan-2-yl)-N-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)propanamide
MOLECULAR FORMULA: C14H20N2O3
MOLECULAR WEIGHT: 264.3202
SMILES: C1CCN(C1)C(=O)CCNC(=O)CCC2=CC=CO2
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Product OPENEYE NAME: 2-methyl-1-[4-(4-pyridylmethyl)piperazin-1-yl]propan-1-one
CAS Name: 2-methyl-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-1-propanone
IUPAC NAME: 2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C14H21N3O
MOLECULAR WEIGHT: 247.33604
SMILES: CC(C)C(=O)N1CCN(CC1)CC2=CC=NC=C2
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Product OPENEYE NAME: 1-[4-(4-pyridylmethyl)piperazin-1-yl]butan-1-one
CAS Name: 1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-1-butanone
IUPAC NAME: 1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-1-one
SYSTEMATIC NAME: 1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-1-one
MOLECULAR FORMULA: C14H21N3O
MOLECULAR WEIGHT: 247.33604
SMILES: CCCC(=O)N1CCN(CC1)CC2=CC=NC=C2
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Product OPENEYE NAME: 1-[4-(4-pyridylmethyl)piperazin-1-yl]propan-1-one
CAS Name: 1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-1-propanone
IUPAC NAME: 1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C13H19N3O
MOLECULAR WEIGHT: 233.30946
SMILES: CCC(=O)N1CCN(CC1)CC2=CC=NC=C2
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Product OPENEYE NAME: 3,3-dimethyl-1-[4-(4-pyridylmethyl)piperazin-1-yl]butan-1-one
CAS Name: 3,3-dimethyl-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-1-butanone
IUPAC NAME: 3,3-dimethyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-1-one
SYSTEMATIC NAME: 3,3-dimethyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-1-one
MOLECULAR FORMULA: C16H25N3O
MOLECULAR WEIGHT: 275.3892
SMILES: CC(C)(C)CC(=O)N1CCN(CC1)CC2=CC=NC=C2
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Product OPENEYE NAME: (2-methylcyclopropyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone
CAS Name: (2-methylcyclopropyl)-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone
IUPAC NAME: (2-methylcyclopropyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: (2-methylcyclopropyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C15H21N3O
MOLECULAR WEIGHT: 259.34674
SMILES: CC1CC1C(=O)N2CCN(CC2)CC3=CC=NC=C3
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Product OPENEYE NAME: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-oxothiazolidin-3-yl)acetamide
CAS Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-oxo-3-thiazolidinyl)acetamide
IUPAC NAME: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SYSTEMATIC NAME: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-oxidanylidene-1,3-thiazolidin-3-yl)ethanamide
MOLECULAR FORMULA: C13H17N3O2S2
MOLECULAR WEIGHT: 311.42298
SMILES: CC1CCC2=C(C1)SC(=N2)NC(=O)CN3CSCC3=O
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Product OPENEYE NAME: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CAS Name: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
IUPAC NAME: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SYSTEMATIC NAME: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
MOLECULAR FORMULA: C20H17N5O
MOLECULAR WEIGHT: 343.38188
SMILES: C1CC2=C(C3=CC=CC=C3N=C2C1)C(=O)NCC4=NN=C5N4C=CC=C5
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Product OPENEYE NAME: 3-(2-methylanilino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CAS Name: 3-(2-methylanilino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
IUPAC NAME: 3-(2-methylanilino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SYSTEMATIC NAME: 3-[(2-methylphenyl)amino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
MOLECULAR FORMULA: C17H19N5O
MOLECULAR WEIGHT: 309.36566
SMILES: CC1=CC=CC=C1NCCC(=O)NCC2=NN=C3N2C=CC=C3
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Product OPENEYE NAME: 3-(2-furyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CAS Name: 3-(2-furanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
IUPAC NAME: 3-(furan-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SYSTEMATIC NAME: 3-(furan-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
MOLECULAR FORMULA: C14H14N4O2
MOLECULAR WEIGHT: 270.28656
SMILES: C1=CC2=NN=C(N2C=C1)CNC(=O)CCC3=CC=CO3
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Product OPENEYE NAME: (E)-N-[(4-methoxyphenyl)-phenyl-methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[(4-methoxyphenyl)-phenylmethyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[(4-methoxyphenyl)-phenylmethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(4-methoxyphenyl)-phenyl-methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C21H21N3O2
MOLECULAR WEIGHT: 347.41034
SMILES: CN1C=C(C=N1)/C=C/C(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-(2-fluoro-5-methylsulfonyl-phenyl)cyclohex-3-ene-1-carboxamide
CAS Name: N-(2-fluoro-5-methylsulfonylphenyl)-1-cyclohex-3-enecarboxamide
IUPAC NAME: N-(2-fluoro-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SYSTEMATIC NAME: N-(2-fluoranyl-5-methylsulfonyl-phenyl)cyclohex-3-ene-1-carboxamide
MOLECULAR FORMULA: C14H16FNO3S
MOLECULAR WEIGHT: 297.345143
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2CCC=CC2
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Product OPENEYE NAME: (E)-3-(1-methylpyrazol-4-yl)-N-[2-(2-thienyl)ethyl]prop-2-enamide
CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-N-(2-thiophen-2-ylethyl)-2-propenamide
IUPAC NAME: (E)-3-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: CN1C=C(C=N1)/C=C/C(=O)NCCC2=CC=CS2
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Product OPENEYE NAME: (E)-N-[(5-bromo-2-thienyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[(5-bromo-2-thiophenyl)methyl]-N-methyl-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(5-bromanylthiophen-2-yl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C13H14BrN3OS
MOLECULAR WEIGHT: 340.23876
SMILES: CN1C=C(C=N1)/C=C/C(=O)N(C)CC2=CC=C(S2)Br
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Product OPENEYE NAME: N-[1-(4-methoxyphenyl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CAS Name: N-[1-(4-methoxyphenyl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
IUPAC NAME: N-[1-(4-methoxyphenyl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SYSTEMATIC NAME: N-[1-(4-methoxyphenyl)propyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: CCC(C1=CC=C(C=C1)OC)NC(=O)C2=NNC(=O)C=C2
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Product OPENEYE NAME: N-[1-(4-methoxyphenyl)propyl]tetrahydrofuran-2-carboxamide
CAS Name: N-[1-(4-methoxyphenyl)propyl]-2-oxolanecarboxamide
IUPAC NAME: N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide
SYSTEMATIC NAME: N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: CCC(C1=CC=C(C=C1)OC)NC(=O)C2CCCO2
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Product OPENEYE NAME: N-[1-(4-methoxyphenyl)propyl]-6-oxo-1-propyl-pyridazine-3-carboxamide
CAS Name: N-[1-(4-methoxyphenyl)propyl]-6-oxo-1-propyl-3-pyridazinecarboxamide
IUPAC NAME: N-[1-(4-methoxyphenyl)propyl]-6-oxo-1-propylpyridazine-3-carboxamide
SYSTEMATIC NAME: N-[1-(4-methoxyphenyl)propyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide
MOLECULAR FORMULA: C18H23N3O3
MOLECULAR WEIGHT: 329.39352
SMILES: CCCN1C(=O)C=CC(=N1)C(=O)NC(CC)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: (E)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C20H23N5O
MOLECULAR WEIGHT: 349.42952
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)/C=C/C3=CN(N=C3)C
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Product OPENEYE NAME: 2-oxo-N-[2-(2-oxoindolin-3-yl)ethyl]chromene-3-carboxamide
CAS Name: 2-oxo-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-1-benzopyran-3-carboxamide
IUPAC NAME: 2-oxo-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]chromene-3-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-N-[2-(2-oxidanylidene-1,3-dihydroindol-3-yl)ethyl]chromene-3-carboxamide
MOLECULAR FORMULA: C20H16N2O4
MOLECULAR WEIGHT: 348.35204
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCC3C4=CC=CC=C4NC3=O
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Product OPENEYE NAME: 2-(1H-indol-3-yl)-N-[1-(5-methyl-2-furyl)ethyl]acetamide
CAS Name: 2-(1H-indol-3-yl)-N-[1-(5-methyl-2-furanyl)ethyl]acetamide
IUPAC NAME: 2-(1H-indol-3-yl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SYSTEMATIC NAME: 2-(1H-indol-3-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamide
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: CC1=CC=C(O1)C(C)NC(=O)CC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: N-[1-(5-methyl-2-furyl)ethyl]-3H-benzimidazole-5-carboxamide
CAS Name: N-[1-(5-methyl-2-furanyl)ethyl]-3H-benzimidazole-5-carboxamide
IUPAC NAME: N-[1-(5-methylfuran-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
SYSTEMATIC NAME: N-[1-(5-methylfuran-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CC1=CC=C(O1)C(C)NC(=O)C2=CC3=C(C=C2)N=CN3
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