Thursday, February 2, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-butyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxo-ethyl]-4-methoxy-benzamide
CAS Name: N-butyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
IUPAC NAME: N-butyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
SYSTEMATIC NAME: N-butyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxidanylidene-ethyl]-4-methoxy-benzamide
MOLECULAR FORMULA: C31H33Cl2N3O3
MOLECULAR WEIGHT: 566.51802
SMILES: CCCCN(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxo-ethyl]-N-propyl-adamantane-1-carboxamide
CAS Name: N-[2-[2-(1H-indol-3-yl)ethyl-(phenylmethyl)amino]-2-oxoethyl]-N-propyl-1-adamantanecarboxamide
IUPAC NAME: N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propyladamantane-1-carboxamide
SYSTEMATIC NAME: N-[2-[2-(1H-indol-3-yl)ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-propyl-adamantane-1-carboxamide
MOLECULAR FORMULA: C33H41N3O2
MOLECULAR WEIGHT: 511.69754
SMILES: CCCN(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5
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Product OPENEYE NAME: N-[2-[2-(1H-indol-3-yl)ethyl-(p-tolylmethyl)amino]-2-oxo-ethyl]-N-isopropyl-octanamide
CAS Name: N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
IUPAC NAME: N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
SYSTEMATIC NAME: N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]-N-propan-2-yl-octanamide
MOLECULAR FORMULA: C31H43N3O2
MOLECULAR WEIGHT: 489.69202
SMILES: CCCCCCCC(=O)N(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=C(C=C3)C)C(C)C
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Product OPENEYE NAME: N-[2-(1H-indol-3-yl)ethyl]-2-[isopropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(p-tolylmethyl)acetamide
CAS Name: N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]-2-[[oxo-[2-(trifluoromethyl)anilino]methyl]-propan-2-ylamino]acetamide
IUPAC NAME: N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]-2-[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SYSTEMATIC NAME: N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]-2-[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]ethanamide
MOLECULAR FORMULA: C31H33F3N4O2
MOLECULAR WEIGHT: 550.61453
SMILES: CC1=CC=C(C=C1)CN(CCC2=CNC3=CC=CC=C32)C(=O)CN(C(C)C)C(=O)NC4=CC=CC=C4C(F)(F)F
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Product OPENEYE NAME: N-(3-allyl-6-chloro-1,3-benzothiazol-2-ylidene)-4-butoxy-benzamide
CAS Name: 4-butoxy-N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-butoxy-N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-butoxy-N-(6-chloranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C21H21ClN2O2S
MOLECULAR WEIGHT: 400.92164
SMILES: CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC=C
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Product OPENEYE NAME: N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-4-(diethylamino)benzamide
CAS Name: 4-(diethylamino)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
IUPAC NAME: 4-(diethylamino)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-(diethylamino)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C22H25N3O3S2
MOLECULAR WEIGHT: 443.5822
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC=C
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Product OPENEYE NAME: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
CAS Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)-2-propenamide
IUPAC NAME: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C20H15N3O3S
MOLECULAR WEIGHT: 377.4164
SMILES: CC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])S2)CC#C
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Product OPENEYE NAME: 2-(4-methylphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CAS Name: 2-(4-methylphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
IUPAC NAME: 2-(4-methylphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
SYSTEMATIC NAME: 2-(4-methylphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]ethanamide
MOLECULAR FORMULA: C23H22N2O2
MOLECULAR WEIGHT: 358.43298
SMILES: CC1=CC=C(C=C1)OCC(=O)NN=C(C)C2=CC=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[[4,6-bis[2-(3-nitrophenyl)vinyl]pyrimidin-2-yl]amino]phenol
CAS Name: 4-[[4,6-bis[2-(3-nitrophenyl)ethenyl]-2-pyrimidinyl]amino]phenol
IUPAC NAME: 4-[[4,6-bis[2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl]amino]phenol
SYSTEMATIC NAME: 4-[[4,6-bis[2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl]amino]phenol
MOLECULAR FORMULA: C26H19N5O5
MOLECULAR WEIGHT: 481.45956
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=CC2=CC(=NC(=N2)NC3=CC=C(C=C3)O)C=CC4=CC(=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 1-propyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CAS Name: 1-propyl-N-(2,4,6-trimethylphenyl)-2-pyrrolidinecarboxamide
IUPAC NAME: 1-propyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: 1-propyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C17H26N2O
MOLECULAR WEIGHT: 274.40114
SMILES: CCCN1CCCC1C(=O)NC2=C(C=C(C=C2C)C)C
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Product OPENEYE NAME: N-methyl-N-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethyl]aniline
CAS Name: N-methyl-N-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethyl]aniline
IUPAC NAME: N-methyl-N-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethyl]aniline
SYSTEMATIC NAME: N-methyl-N-[2-[2-[2-[methyl(phenyl)amino]ethoxy]ethoxy]ethyl]aniline
MOLECULAR FORMULA: C20H28N2O2
MOLECULAR WEIGHT: 328.44852
SMILES: CN(CCOCCOCCN(C)C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 3-chloropropyl(hexyl)ammonium
CAS Name: 3-chloropropyl(hexyl)ammonium
IUPAC NAME: 3-chloropropyl(hexyl)azanium
SYSTEMATIC NAME: 3-chloranylpropyl(hexyl)azanium
MOLECULAR FORMULA: C9H21ClN+
MOLECULAR WEIGHT: 178.72274
SMILES: CCCCCC[NH2+]CCCCl
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Product OPENEYE NAME: N-(3-chloropropyl)hexan-1-amine
CAS Name: N-(3-chloropropyl)-1-hexanamine
IUPAC NAME: N-(3-chloropropyl)hexan-1-amine
SYSTEMATIC NAME: N-(3-chloranylpropyl)hexan-1-amine
MOLECULAR FORMULA: C9H20ClN
MOLECULAR WEIGHT: 177.7148
SMILES: CCCCCCNCCCCl
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Product OPENEYE NAME: 4-(4-chlorophenyl)-3-(4-nitrophenyl)-2,5-diphenyl-3H-1,2,4-triazole
CAS Name: 4-(4-chlorophenyl)-3-(4-nitrophenyl)-2,5-diphenyl-3H-1,2,4-triazole
IUPAC NAME: 4-(4-chlorophenyl)-3-(4-nitrophenyl)-2,5-diphenyl-3H-1,2,4-triazole
SYSTEMATIC NAME: 4-(4-chlorophenyl)-3-(4-nitrophenyl)-2,5-diphenyl-3H-1,2,4-triazole
MOLECULAR FORMULA: C26H19ClN4O2
MOLECULAR WEIGHT: 454.90766
SMILES: C1=CC=C(C=C1)C2=NN(C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5
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Product OPENEYE NAME: 2-[2-[2-(2-hexoxyethylsulfanyl)ethoxy]ethoxy]ethanol
CAS Name: 2-[2-[2-(2-hexoxyethylthio)ethoxy]ethoxy]ethanol
IUPAC NAME: 2-[2-[2-(2-hexoxyethylsulfanyl)ethoxy]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[2-(2-hexoxyethylsulfanyl)ethoxy]ethoxy]ethanol
MOLECULAR FORMULA: C14H30O4S
MOLECULAR WEIGHT: 294.4506
SMILES: CCCCCCOCCSCCOCCOCCO
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Product OPENEYE NAME: N-[3-allyl-4-(4-nitrophenyl)thiazol-2-ylidene]-4-methyl-benzenesulfonamide
CAS Name: 4-methyl-N-[4-(4-nitrophenyl)-3-prop-2-enyl-2-thiazolylidene]benzenesulfonamide
IUPAC NAME: 4-methyl-N-[4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C19H17N3O4S2
MOLECULAR WEIGHT: 415.48598
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC=C
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Product OPENEYE NAME: methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-[(3-hydroxynaphthalene-2-carbonyl)amino]benzoate
CAS Name: 4-[(2,5-dichloroanilino)-oxomethyl]-2-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-[(3-hydroxynaphthalene-2-carbonyl)amino]benzoate
SYSTEMATIC NAME: methyl 4-[[2,5-bis(chloranyl)phenyl]carbamoyl]-2-[(3-oxidanylnaphthalen-2-yl)carbonylamino]benzoate
MOLECULAR FORMULA: C26H18Cl2N2O5
MOLECULAR WEIGHT: 509.33752
SMILES: COC(=O)C1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4C=C3O
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Product OPENEYE NAME: 3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylpropanenitrile
CAS Name: 3-[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]propanenitrile
IUPAC NAME: 3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylpropanenitrile
SYSTEMATIC NAME: 3-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylpropanenitrile
MOLECULAR FORMULA: C13H19N5S
MOLECULAR WEIGHT: 277.38846
SMILES: CC1=CC(=NC(=N1)SCCC#N)N2CCN(CC2)C
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Product OPENEYE NAME: 2,3,4,5-tetrabromo-6-[(3-nitrophenyl)carbamoyl]benzoic acid
CAS Name: 2,3,4,5-tetrabromo-6-[(3-nitroanilino)-oxomethyl]benzoic acid
IUPAC NAME: 2,3,4,5-tetrabromo-6-[(3-nitrophenyl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2,3,4,5-tetrakis(bromanyl)-6-[(3-nitrophenyl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C14H6Br4N2O5
MOLECULAR WEIGHT: 601.82384
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O
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