Thursday, January 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(1-acetylindolin-5-yl)-3-methyl-2-ureido-butanamide
CAS Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(carbamoylamino)-3-methylbutanamide
IUPAC NAME: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(carbamoylamino)-3-methylbutanamide
SYSTEMATIC NAME: 2-(aminocarbonylamino)-N-(1-ethanoyl-2,3-dihydroindol-5-yl)-3-methyl-butanamide
MOLECULAR FORMULA: C16H22N4O3
MOLECULAR WEIGHT: 318.37088
SMILES: CC(C)C(C(=O)NC1=CC2=C(C=C1)N(CC2)C(=O)C)NC(=O)N
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Product OPENEYE NAME: N-(1-acetylindolin-5-yl)-3-methyl-2-ureido-pentanamide
CAS Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
IUPAC NAME: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
SYSTEMATIC NAME: 2-(aminocarbonylamino)-N-(1-ethanoyl-2,3-dihydroindol-5-yl)-3-methyl-pentanamide
MOLECULAR FORMULA: C17H24N4O3
MOLECULAR WEIGHT: 332.39746
SMILES: CCC(C)C(C(=O)NC1=CC2=C(C=C1)N(CC2)C(=O)C)NC(=O)N
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Product OPENEYE NAME: N-(1-acetylindolin-5-yl)cyclohex-3-ene-1-carboxamide
CAS Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclohex-3-enecarboxamide
IUPAC NAME: N-(1-acetyl-2,3-dihydroindol-5-yl)cyclohex-3-ene-1-carboxamide
SYSTEMATIC NAME: N-(1-ethanoyl-2,3-dihydroindol-5-yl)cyclohex-3-ene-1-carboxamide
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C3CCC=CC3
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C18H16N2O5
MOLECULAR WEIGHT: 340.33004
SMILES: C1COC2=C(O1)C=CC(=C2)CNC(=O)C3=CC4=C(C=C3)NC(=O)CO4
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Product OPENEYE NAME: N-(3-methyl-1,1-dioxo-thiolan-3-yl)-3-(3-thienyl)propanamide
CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-3-(3-thiophenyl)propanamide
IUPAC NAME: N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropanamide
SYSTEMATIC NAME: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-thiophen-3-yl-propanamide
MOLECULAR FORMULA: C12H17NO3S2
MOLECULAR WEIGHT: 287.39828
SMILES: CC1(CCS(=O)(=O)C1)NC(=O)CCC2=CSC=C2
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Product OPENEYE NAME: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methoxy-N,3-dimethyl-pentanamide
CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methoxy-N,3-dimethylpentanamide
IUPAC NAME: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methoxy-N,3-dimethylpentanamide
SYSTEMATIC NAME: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-methoxy-N,3-dimethyl-pentanamide
MOLECULAR FORMULA: C15H21N3O4S
MOLECULAR WEIGHT: 339.40994
SMILES: CCC(C)C(C(=O)N(C)OC)NC1=NS(=O)(=O)C2=CC=CC=C21
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Product OPENEYE NAME: 7-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4H-1,4-benzoxazin-3-one
CAS Name: 7-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-oxomethyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 7-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 7-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4
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Product OPENEYE NAME: N-[1-(2-thienyl)ethyl]tetrahydropyran-4-carboxamide
CAS Name: N-(1-thiophen-2-ylethyl)-4-oxanecarboxamide
IUPAC NAME: N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
SYSTEMATIC NAME: N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
MOLECULAR FORMULA: C12H17NO2S
MOLECULAR WEIGHT: 239.33388
SMILES: CC(C1=CC=CS1)NC(=O)C2CCOCC2
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Product OPENEYE NAME: 3-oxo-N-[1-(2-thienyl)ethyl]-4H-1,4-benzoxazine-7-carboxamide
CAS Name: 3-oxo-N-(1-thiophen-2-ylethyl)-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: 3-oxo-N-(1-thiophen-2-ylethyl)-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: 3-oxidanylidene-N-(1-thiophen-2-ylethyl)-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C15H14N2O3S
MOLECULAR WEIGHT: 302.34826
SMILES: CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)NC(=O)CO3
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Product OPENEYE NAME: 7-[2-(2-thienyl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CAS Name: 7-[oxo-(2-thiophen-2-yl-1-pyrrolidinyl)methyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 7-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 7-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C17H16N2O3S
MOLECULAR WEIGHT: 328.38554
SMILES: C1CC(N(C1)C(=O)C2=CC3=C(C=C2)NC(=O)CO3)C4=CC=CS4
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Product OPENEYE NAME: N-chroman-4-ylbutanamide
CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)butanamide
IUPAC NAME: N-(3,4-dihydro-2H-chromen-4-yl)butanamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-chromen-4-yl)butanamide
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: CCCC(=O)NC1CCOC2=CC=CC=C12
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Product OPENEYE NAME: N-chroman-4-yl-2-(3-oxo-1H-isobenzofuran-1-yl)acetamide
CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-2-(3-oxo-1H-isobenzofuran-1-yl)acetamide
IUPAC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanamide
MOLECULAR FORMULA: C19H17NO4
MOLECULAR WEIGHT: 323.34258
SMILES: C1COC2=CC=CC=C2C1NC(=O)CC3C4=CC=CC=C4C(=O)O3
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Product OPENEYE NAME: N-chroman-4-yl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
IUPAC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxamide
MOLECULAR FORMULA: C19H20N2O3
MOLECULAR WEIGHT: 324.3737
SMILES: CC1=C(NC2=C1C(=O)CCC2)C(=O)NC3CCOC4=CC=CC=C34
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Product OPENEYE NAME: 5-chloro-N-chroman-4-yl-furan-2-carboxamide
CAS Name: 5-chloro-N-(3,4-dihydro-2H-1-benzopyran-4-yl)-2-furancarboxamide
IUPAC NAME: 5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)furan-2-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-(3,4-dihydro-2H-chromen-4-yl)furan-2-carboxamide
MOLECULAR FORMULA: C14H12ClNO3
MOLECULAR WEIGHT: 277.70298
SMILES: C1COC2=CC=CC=C2C1NC(=O)C3=CC=C(O3)Cl
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Product OPENEYE NAME: N-chroman-4-yl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: C1COC2=CC=CC=C2C1NC(=O)C3=CC4=C(C=C3)NC(=O)CO4
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Product OPENEYE NAME: 6-oxo-1-propyl-N-thiochroman-4-yl-pyridazine-3-carboxamide
CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-6-oxo-1-propyl-3-pyridazinecarboxamide
IUPAC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide
MOLECULAR FORMULA: C17H19N3O2S
MOLECULAR WEIGHT: 329.41666
SMILES: CCCN1C(=O)C=CC(=N1)C(=O)NC2CCSC3=CC=CC=C23
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Product OPENEYE NAME: 3-(2-furyl)-N-thiochroman-4-yl-propanamide
CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(2-furanyl)propanamide
IUPAC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(furan-2-yl)propanamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(furan-2-yl)propanamide
MOLECULAR FORMULA: C16H17NO2S
MOLECULAR WEIGHT: 287.37668
SMILES: C1CSC2=CC=CC=C2C1NC(=O)CCC3=CC=CO3
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Product OPENEYE NAME: 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-thiochroman-4-yl-acetamide
CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
IUPAC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanamide
MOLECULAR FORMULA: C19H18N2O3S
MOLECULAR WEIGHT: 354.42282
SMILES: C1CSC2=CC=CC=C2C1NC(=O)CC3C(=O)NC4=CC=CC=C4O3
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Product OPENEYE NAME: 3-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-thiochroman-4-yl-propanamide
CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)propanamide
IUPAC NAME: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)propanamide
SYSTEMATIC NAME: 3-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
MOLECULAR FORMULA: C19H23N3O3S
MOLECULAR WEIGHT: 373.46922
SMILES: C1CCC2(C1)C(=O)N(C(=O)N2)CCC(=O)NC3CCSC4=CC=CC=C34
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Product OPENEYE NAME: 3-oxo-N-[1-(2-pyridyl)ethyl]-4H-1,4-benzoxazine-7-carboxamide
CAS Name: 3-oxo-N-[1-(2-pyridinyl)ethyl]-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: 3-oxo-N-(1-pyridin-2-ylethyl)-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: 3-oxidanylidene-N-(1-pyridin-2-ylethyl)-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C16H15N3O3
MOLECULAR WEIGHT: 297.3086
SMILES: CC(C1=CC=CC=N1)NC(=O)C2=CC3=C(C=C2)NC(=O)CO3
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Product OPENEYE NAME: 3-oxo-N-[2-(2-thienyl)ethyl]-4H-1,4-benzoxazine-7-carboxamide
CAS Name: 3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-7-carboxamide
IUPAC NAME: 3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-7-carboxamide
SYSTEMATIC NAME: 3-oxidanylidene-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-7-carboxamide
MOLECULAR FORMULA: C15H14N2O3S
MOLECULAR WEIGHT: 302.34826
SMILES: C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=CS3
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Product OPENEYE NAME: 2-(benzotriazol-1-yl)-N-(2-furylmethyl)-N-methyl-acetamide
CAS Name: 2-(1-benzotriazolyl)-N-(2-furanylmethyl)-N-methylacetamide
IUPAC NAME: 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SYSTEMATIC NAME: 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-methyl-ethanamide
MOLECULAR FORMULA: C14H14N4O2
MOLECULAR WEIGHT: 270.28656
SMILES: CN(CC1=CC=CO1)C(=O)CN2C3=CC=CC=C3N=N2
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Product OPENEYE NAME: N-ethyl-N-(2-thienylmethyl)thiophene-2-carboxamide
CAS Name: N-ethyl-N-(thiophen-2-ylmethyl)-2-thiophenecarboxamide
IUPAC NAME: N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SYSTEMATIC NAME: N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
MOLECULAR FORMULA: C12H13NOS2
MOLECULAR WEIGHT: 251.36772
SMILES: CCN(CC1=CC=CS1)C(=O)C2=CC=CS2
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Product OPENEYE NAME: N-ethyl-2-(3-fluorophenyl)-N-(2-thienylmethyl)acetamide
CAS Name: N-ethyl-2-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: N-ethyl-2-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-ethyl-2-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C15H16FNOS
MOLECULAR WEIGHT: 277.357043
SMILES: CCN(CC1=CC=CS1)C(=O)CC2=CC(=CC=C2)F
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