Thursday, January 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-N-ethyl-propanamide
CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
IUPAC NAME: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-N-ethylpropanamide
SYSTEMATIC NAME: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-N-ethyl-propanamide
MOLECULAR FORMULA: C11H13ClF3N3O
MOLECULAR WEIGHT: 295.68863
SMILES: CCNC(=O)C(C)NC1=C(C=C(C=N1)C(F)(F)F)Cl
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Product OPENEYE NAME: 1-morpholino-2-(4-thiazol-2-ylpiperazin-1-yl)ethanone
CAS Name: 1-(4-morpholinyl)-2-[4-(2-thiazolyl)-1-piperazinyl]ethanone
IUPAC NAME: 1-morpholin-4-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-morpholin-4-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C13H20N4O2S
MOLECULAR WEIGHT: 296.3885
SMILES: C1CN(CCN1CC(=O)N2CCOCC2)C3=NC=CS3
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Product OPENEYE NAME: 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CAS Name: 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
IUPAC NAME: 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C12H14N4O3S
MOLECULAR WEIGHT: 294.32956
SMILES: C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=NN=CS3
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Product OPENEYE NAME: 2-phenyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CAS Name: 2-phenyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
IUPAC NAME: 2-phenyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
SYSTEMATIC NAME: 2-phenyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: CCCC(C1=CC=CC=C1)C(=O)NC2=NN=CS2
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Product OPENEYE NAME: (E)-3-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CAS Name: (E)-3-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-2-propenamide
IUPAC NAME: (E)-3-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
MOLECULAR FORMULA: C12H12N4O2
MOLECULAR WEIGHT: 244.24928
SMILES: COC1=CC=CC(=C1)/C=C/C(=O)NC2=NC=NN2
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Product OPENEYE NAME: 2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide
CAS Name: 2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide
IUPAC NAME: 2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide
SYSTEMATIC NAME: 2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide
MOLECULAR FORMULA: C13H16N4O
MOLECULAR WEIGHT: 244.29234
SMILES: CCCC(C1=CC=CC=C1)C(=O)NC2=NC=NN2
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Product OPENEYE NAME: 6-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 6-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 6-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 6-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C12H14N4OS
MOLECULAR WEIGHT: 262.33076
SMILES: CC1CCC2=C(C1)SC=C2C(=O)NC3=NC=NN3
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Product OPENEYE NAME: 5-bromo-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CAS Name: 5-bromo-N-(1,1-dioxo-3-thiolanyl)-3-pyridinecarboxamide
IUPAC NAME: 5-bromo-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-bromanyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C10H11BrN2O3S
MOLECULAR WEIGHT: 319.17494
SMILES: C1CS(=O)(=O)CC1NC(=O)C2=CC(=CN=C2)Br
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Product OPENEYE NAME: N-(1,1-dioxothiolan-3-yl)-4-isopropoxy-3-methoxy-benzamide
CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-methoxy-4-propan-2-yloxybenzamide
IUPAC NAME: N-(1,1-dioxothiolan-3-yl)-3-methoxy-4-propan-2-yloxybenzamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-methoxy-4-propan-2-yloxy-benzamide
MOLECULAR FORMULA: C15H21NO5S
MOLECULAR WEIGHT: 327.39594
SMILES: CC(C)OC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)OC
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Product OPENEYE NAME: N-(1,1-dioxothiolan-3-yl)-4-ethoxy-3-methoxy-benzamide
CAS Name: N-(1,1-dioxo-3-thiolanyl)-4-ethoxy-3-methoxybenzamide
IUPAC NAME: N-(1,1-dioxothiolan-3-yl)-4-ethoxy-3-methoxybenzamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-ethoxy-3-methoxy-benzamide
MOLECULAR FORMULA: C14H19NO5S
MOLECULAR WEIGHT: 313.36936
SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)OC
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Product OPENEYE NAME: 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-ethoxy-5-methoxy-benzamide
CAS Name: 3-chloro-N-(1,1-dioxo-3-thiolanyl)-4-ethoxy-5-methoxybenzamide
IUPAC NAME: 3-chloro-N-(1,1-dioxothiolan-3-yl)-4-ethoxy-5-methoxybenzamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-chloranyl-4-ethoxy-5-methoxy-benzamide
MOLECULAR FORMULA: C14H18ClNO5S
MOLECULAR WEIGHT: 347.81442
SMILES: CCOC1=C(C=C(C=C1Cl)C(=O)NC2CCS(=O)(=O)C2)OC
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Product OPENEYE NAME: 2-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CAS Name: 2-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
IUPAC NAME: 2-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SYSTEMATIC NAME: 2-[3-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]ethanamide
MOLECULAR FORMULA: C12H8F6N4O
MOLECULAR WEIGHT: 338.208539
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CC(=O)NC2=NNC(=N2)C(F)(F)F
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Product OPENEYE NAME: 1-[2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxamide
CAS Name: 1-[2-(6-methyl-5-propan-2-yl-3-benzofuranyl)-1-oxoethyl]-2-pyrrolidinecarboxamide
IUPAC NAME: 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: CC1=C(C=C2C(=C1)OC=C2CC(=O)N3CCCC3C(=O)N)C(C)C
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Product OPENEYE NAME: (1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-tetrahydrofuran-2-yl-methanone
CAS Name: (1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(2-oxolanyl)methanone
IUPAC NAME: (1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(oxolan-2-yl)methanone
SYSTEMATIC NAME: (1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(oxolan-2-yl)methanone
MOLECULAR FORMULA: C17H20N4O2
MOLECULAR WEIGHT: 312.3663
SMILES: CN1CCCN(C2=NC3=CC=CC=C3N=C21)C(=O)C4CCCO4
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Product OPENEYE NAME: N-(5-methylisoxazol-3-yl)cyclohex-3-ene-1-carboxamide
CAS Name: N-(5-methyl-3-isoxazolyl)-1-cyclohex-3-enecarboxamide
IUPAC NAME: N-(5-methyl-1,2-oxazol-3-yl)cyclohex-3-ene-1-carboxamide
SYSTEMATIC NAME: N-(5-methyl-1,2-oxazol-3-yl)cyclohex-3-ene-1-carboxamide
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CC1=CC(=NO1)NC(=O)C2CCC=CC2
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Product OPENEYE NAME: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-sec-butyl-propanamide
CAS Name: N-butan-2-yl-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
IUPAC NAME: N-butan-2-yl-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SYSTEMATIC NAME: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-butan-2-yl-propanamide
MOLECULAR FORMULA: C15H19N3O3
MOLECULAR WEIGHT: 289.32966
SMILES: CCC(C)NC(=O)CCN1C(=O)C2=CC=CC=C2C(=O)N1
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Product OPENEYE NAME: 3-(2-ethoxyphenyl)-N-sec-butyl-propanamide
CAS Name: N-butan-2-yl-3-(2-ethoxyphenyl)propanamide
IUPAC NAME: N-butan-2-yl-3-(2-ethoxyphenyl)propanamide
SYSTEMATIC NAME: N-butan-2-yl-3-(2-ethoxyphenyl)propanamide
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CCC(C)NC(=O)CCC1=CC=CC=C1OCC
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