Wednesday, April 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-thiazol-2-yl)acetamide
CAS Name: 2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-methyl-4-phenyl-2-thiazolyl)acetamide
IUPAC NAME: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C20H24N6O2S2
MOLECULAR WEIGHT: 444.57356
SMILES: CC1=C(N=C(S1)NC(=O)CSC2=NN=C(N2C)CN3CCOCC3)C4=CC=CC=C4
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Product OPENEYE NAME: [2-(4-ethylanilino)-2-oxo-ethyl] pyridine-2-carboxylate
CAS Name: 2-pyridinecarboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-ethylanilino)-2-oxoethyl] pyridine-2-carboxylate
SYSTEMATIC NAME: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=N2
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Product OPENEYE NAME: [2-(2,4-dimethylanilino)-2-oxo-ethyl] pyridine-2-carboxylate
CAS Name: 2-pyridinecarboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-dimethylanilino)-2-oxoethyl] pyridine-2-carboxylate
SYSTEMATIC NAME: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=N2)C
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Product OPENEYE NAME: 1-indolin-1-yl-2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone
IUPAC NAME: 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SYSTEMATIC NAME: 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C18H23N5O2S
MOLECULAR WEIGHT: 373.47252
SMILES: CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)CN4CCOCC4
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Product OPENEYE NAME: [2-(3-acetylanilino)-2-oxo-ethyl] pyridine-2-carboxylate
CAS Name: 2-pyridinecarboxylic acid [2-(3-acetylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-acetylanilino)-2-oxoethyl] pyridine-2-carboxylate
SYSTEMATIC NAME: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CC=N2
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Product OPENEYE NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] pyridine-2-carboxylate
CAS Name: 2-pyridinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] pyridine-2-carboxylate
SYSTEMATIC NAME: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] pyridine-2-carboxylate
MOLECULAR FORMULA: C15H12N2O5
MOLECULAR WEIGHT: 300.26618
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=N3
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Product OPENEYE NAME: N-(2,5-dichlorophenyl)-2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(2,5-dichlorophenyl)-2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(2,5-dichlorophenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C16H19Cl2N5O2S
MOLECULAR WEIGHT: 416.32536
SMILES: CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)Cl)CN3CCOCC3
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Product OPENEYE NAME: 3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-4-ethoxy-benzoic acid
CAS Name: 3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-4-ethoxybenzoic acid
IUPAC NAME: 3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-4-ethoxybenzoic acid
SYSTEMATIC NAME: 3-[1,8-bis(oxidanylidene)-2,3,4,5,6,7,9,10-octahydroacridin-9-yl]-4-ethoxy-benzoic acid
MOLECULAR FORMULA: C22H23NO5
MOLECULAR WEIGHT: 381.42172
SMILES: CCOC1=C(C=C(C=C1)C(=O)O)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4
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Product OPENEYE NAME: 2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide
CAS Name: 2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)acetamide
IUPAC NAME: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C13H18N6O2S2
MOLECULAR WEIGHT: 354.45102
SMILES: CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CN3CCOCC3
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Product OPENEYE NAME: N-(5-chloro-2-methyl-phenyl)-2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(5-chloro-2-methylphenyl)-2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(5-chloro-2-methylphenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methyl-phenyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C17H22ClN5O2S
MOLECULAR WEIGHT: 395.90688
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C)CN3CCOCC3
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Product OPENEYE NAME: methyl 2-[[2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CAS Name: 2-[[2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate
MOLECULAR FORMULA: C18H23N5O4S
MOLECULAR WEIGHT: 405.47132
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CN3CCOCC3
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Product OPENEYE NAME: 4-ethoxy-3-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)benzoic acid
CAS Name: 4-ethoxy-3-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)benzoic acid
IUPAC NAME: 4-ethoxy-3-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)benzoic acid
SYSTEMATIC NAME: 4-ethoxy-3-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-2,4,5,7,9,10-hexahydroacridin-9-yl]benzoic acid
MOLECULAR FORMULA: C26H31NO5
MOLECULAR WEIGHT: 437.52804
SMILES: CCOC1=C(C=C(C=C1)C(=O)O)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)CC(C4)(C)C
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Product OPENEYE NAME: (2-indolin-1-yl-2-oxo-ethyl) 4-methylbenzoate
CAS Name: 4-methylbenzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-methylbenzoate
SYSTEMATIC NAME: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-methylbenzoate
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: CC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C32
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Product OPENEYE NAME: [2-(2-isopropylanilino)-2-oxo-ethyl] pyridine-2-carboxylate
CAS Name: 2-pyridinecarboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] pyridine-2-carboxylate
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=N2
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Product OPENEYE NAME: [2-(4-chloro-3-methoxycarbonyl-anilino)-2-oxo-ethyl] pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid [2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C16H13ClN2O5
MOLECULAR WEIGHT: 348.73782
SMILES: COC(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CN=CC=C2)Cl
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-yl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]acetamide
CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]acetamide
IUPAC NAME: N-(1,3-benzodioxol-5-yl)-2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C18H17N3O4S
MOLECULAR WEIGHT: 371.41028
SMILES: CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-chloro-4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C15H13ClN2O3
MOLECULAR WEIGHT: 304.72832
SMILES: CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CN=CC=C2)Cl
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Product OPENEYE NAME: 5-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-ethoxy-benzoic acid
CAS Name: 5-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-ethoxybenzoic acid
IUPAC NAME: 5-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-ethoxybenzoic acid
SYSTEMATIC NAME: 5-[1,8-bis(oxidanylidene)-2,3,4,5,6,7,9,10-octahydroacridin-9-yl]-2-ethoxy-benzoic acid
MOLECULAR FORMULA: C22H23NO5
MOLECULAR WEIGHT: 381.42172
SMILES: CCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4)C(=O)O
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Product OPENEYE NAME: [2-(3,5-dimethylanilino)-2-oxo-ethyl] pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,5-dimethylanilino)-2-oxoethyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CN=CC=C2)C
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Product OPENEYE NAME: [2-(3,4-dichloroanilino)-2-oxo-ethyl] pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dichloroanilino)-2-oxoethyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C14H10Cl2N2O3
MOLECULAR WEIGHT: 325.1468
SMILES: C1=CC(=CN=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 9-(1,3-benzodioxol-5-yl)-10-ethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 9-(1,3-benzodioxol-5-yl)-10-ethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 9-(1,3-benzodioxol-5-yl)-10-ethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 9-(1,3-benzodioxol-5-yl)-10-ethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: CCN1C2=C(C(C3=C1CCCC3=O)C4=CC5=C(C=C4)OCO5)C(=O)CCC2
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