Monday, February 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(2,4-dichlorophenyl)carbamoyl-(2-morpholinoethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(2-furylmethyl)acetamide
CAS Name: 2-[[(2,4-dichloroanilino)-oxomethyl]-[2-(4-morpholinyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]-N-(2-furanylmethyl)acetamide
IUPAC NAME: 2-[(2,4-dichlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[(2,4-dichlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C27H29Cl2FN4O4
MOLECULAR WEIGHT: 563.447963
SMILES: C1COCCN1CCN(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CO3)C(=O)NC4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 2-[butylsulfonyl(tetrahydrofuran-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(2-furylmethyl)acetamide
CAS Name: 2-[butylsulfonyl(2-oxolanylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(2-furanylmethyl)acetamide
IUPAC NAME: 2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[butylsulfonyl(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C23H31FN2O5S
MOLECULAR WEIGHT: 466.566043
SMILES: CCCCS(=O)(=O)N(CC1CCCO1)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CO3
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Product OPENEYE NAME: 1-(2-ethylhexyl)-3-phenyl-urea
CAS Name: 1-(2-ethylhexyl)-3-phenylurea
IUPAC NAME: 1-(2-ethylhexyl)-3-phenylurea
SYSTEMATIC NAME: 1-(2-ethylhexyl)-3-phenyl-urea
MOLECULAR FORMULA: C15H24N2O
MOLECULAR WEIGHT: 248.36386
SMILES: CCCCC(CC)CNC(=O)NC1=CC=CC=C1
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Product OPENEYE NAME: N-[(3-methyl-1-phenyl-butylidene)amino]octanamide
CAS Name: N-[(3-methyl-1-phenylbutylidene)amino]octanamide
IUPAC NAME: N-[(3-methyl-1-phenylbutylidene)amino]octanamide
SYSTEMATIC NAME: N-[(3-methyl-1-phenyl-butylidene)amino]octanamide
MOLECULAR FORMULA: C19H30N2O
MOLECULAR WEIGHT: 302.4543
SMILES: CCCCCCCC(=O)NN=C(CC(C)C)C1=CC=CC=C1
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Product OPENEYE NAME: N-(4,6-dimethyl-2-pyridyl)-2-(m-tolyl)quinoline-4-carboxamide
CAS Name: N-(4,6-dimethyl-2-pyridinyl)-2-(3-methylphenyl)-4-quinolinecarboxamide
IUPAC NAME: N-(4,6-dimethylpyridin-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-(4,6-dimethylpyridin-2-yl)-2-(3-methylphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C24H21N3O
MOLECULAR WEIGHT: 367.44304
SMILES: CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=N4)C)C
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Product OPENEYE NAME: N-benzyl-2-cyano-3-(4-isopropylphenyl)prop-2-enamide
CAS Name: 2-cyano-N-(phenylmethyl)-3-(4-propan-2-ylphenyl)-2-propenamide
IUPAC NAME: N-benzyl-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-N-(phenylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
MOLECULAR FORMULA: C20H20N2O
MOLECULAR WEIGHT: 304.3856
SMILES: CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: 1-[(4-fluorophenyl)methyl]-1-(2-morpholinoethyl)-3-pentyl-thiourea
CAS Name: 1-[(4-fluorophenyl)methyl]-1-[2-(4-morpholinyl)ethyl]-3-pentylthiourea
IUPAC NAME: 1-[(4-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-pentylthiourea
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-pentyl-thiourea
MOLECULAR FORMULA: C19H30FN3OS
MOLECULAR WEIGHT: 367.524403
SMILES: CCCCCNC(=S)N(CCN1CCOCC1)CC2=CC=C(C=C2)F
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Product OPENEYE NAME: 3-(4-chloro-2-methyl-phenyl)-1-[(2-chlorophenyl)methyl]-1-(1-methyl-4-piperidyl)thiourea
CAS Name: 3-(4-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-1-(1-methyl-4-piperidinyl)thiourea
IUPAC NAME: 3-(4-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea
SYSTEMATIC NAME: 3-(4-chloranyl-2-methyl-phenyl)-1-[(2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea
MOLECULAR FORMULA: C21H25Cl2N3S
MOLECULAR WEIGHT: 422.4143
SMILES: CC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CC=CC=C2Cl)C3CCN(CC3)C
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Product OPENEYE NAME: ethyl 2-[[(3-methoxyphenyl)methyl-(3-morpholinopropyl)carbamothioyl]amino]acetate
CAS Name: 2-[[[(3-methoxyphenyl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[(3-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[(3-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]ethanoate
MOLECULAR FORMULA: C20H31N3O4S
MOLECULAR WEIGHT: 409.54284
SMILES: CCOC(=O)CNC(=S)N(CCCN1CCOCC1)CC2=CC(=CC=C2)OC
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Product OPENEYE NAME: 4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazono]methyl]benzoate
CAS Name: 4-[[[2-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxoethyl]hydrazinylidene]methyl]benzoate
IUPAC NAME: 4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
SYSTEMATIC NAME: 4-[[2-[(4-chlorophenyl)carbonylamino]ethanoylhydrazinylidene]methyl]benzoate
MOLECULAR FORMULA: C17H13ClN3O4-
MOLECULAR WEIGHT: 358.75582
SMILES: C1=CC(=CC=C1C=NNC(=O)CNC(=O)C2=CC=C(C=C2)Cl)C(=O)[O-]
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Product OPENEYE NAME: 4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazono]methyl]benzoic acid
CAS Name: 4-[[[2-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid
IUPAC NAME: 4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[2-[(4-chlorophenyl)carbonylamino]ethanoylhydrazinylidene]methyl]benzoic acid
MOLECULAR FORMULA: C17H14ClN3O4
MOLECULAR WEIGHT: 359.76376
SMILES: C1=CC(=CC=C1C=NNC(=O)CNC(=O)C2=CC=C(C=C2)Cl)C(=O)O
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Product OPENEYE NAME: [[2-(2-naphthylmethylene)hydrazino]-(2-pyridyl)methylene]-phenyl-ammonium
CAS Name: [[2-(2-naphthalenylmethylidene)hydrazinyl]-(2-pyridinyl)methylidene]-phenylammonium
IUPAC NAME: [[2-(naphthalen-2-ylmethylidene)hydrazinyl]-pyridin-2-ylmethylidene]-phenylazanium
SYSTEMATIC NAME: [[2-(naphthalen-2-ylmethylidene)hydrazinyl]-pyridin-2-yl-methylidene]-phenyl-azanium
MOLECULAR FORMULA: C23H19N4+
MOLECULAR WEIGHT: 351.42376
SMILES: C1=CC=C(C=C1)[NH+]=C(C2=CC=CC=N2)NN=CC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: N-(2-naphthylmethyleneamino)-N'-phenyl-pyridine-2-carboxamidine
CAS Name: N-(2-naphthalenylmethylideneamino)-N'-phenyl-2-pyridinecarboximidamide
IUPAC NAME: N-(naphthalen-2-ylmethylideneamino)-N'-phenylpyridine-2-carboximidamide
SYSTEMATIC NAME: N-(naphthalen-2-ylmethylideneamino)-N'-phenyl-pyridine-2-carboximidamide
MOLECULAR FORMULA: C23H18N4
MOLECULAR WEIGHT: 350.41582
SMILES: C1=CC=C(C=C1)N=C(C2=CC=CC=N2)NN=CC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: [2-[[[2-(2-bromo-4-methoxy-phenoxy)acetyl]hydrazono]methyl]phenyl] 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid [2-[[[2-(2-bromo-4-methoxyphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [2-[[[2-(2-bromo-4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
SYSTEMATIC NAME: [2-[[2-(2-bromanyl-4-methoxy-phenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MOLECULAR FORMULA: C23H18BrN3O7
MOLECULAR WEIGHT: 528.30892
SMILES: COC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br
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Product OPENEYE NAME: [[2-[[4-[2-(2,4-dichlorophenoxy)acetyl]oxyphenyl]methylene]hydrazino]-(2-pyridyl)methylene]-phenyl-ammonium
CAS Name: [[2-[[4-[2-(2,4-dichlorophenoxy)-1-oxoethoxy]phenyl]methylidene]hydrazinyl]-(2-pyridinyl)methylidene]-phenylammonium
IUPAC NAME: [[2-[[4-[2-(2,4-dichlorophenoxy)acetyl]oxyphenyl]methylidene]hydrazinyl]-pyridin-2-ylmethylidene]-phenylazanium
SYSTEMATIC NAME: [[2-[[4-[2-[2,4-bis(chloranyl)phenoxy]ethanoyloxy]phenyl]methylidene]hydrazinyl]-pyridin-2-yl-methylidene]-phenyl-azanium
MOLECULAR FORMULA: C27H21Cl2N4O3+
MOLECULAR WEIGHT: 520.38664
SMILES: C1=CC=C(C=C1)[NH+]=C(C2=CC=CC=N2)NN=CC3=CC=C(C=C3)OC(=O)COC4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: [4-[[[N-phenyl-C-(2-pyridyl)carbonimidoyl]hydrazono]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CAS Name: 2-(2,4-dichlorophenoxy)acetic acid [4-[[[phenylimino(2-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[(N-phenyl-C-pyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
SYSTEMATIC NAME: [4-[[(N-phenyl-C-pyridin-2-yl-carbonimidoyl)hydrazinylidene]methyl]phenyl] 2-[2,4-bis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C27H20Cl2N4O3
MOLECULAR WEIGHT: 519.3787
SMILES: C1=CC=C(C=C1)N=C(C2=CC=CC=N2)NN=CC3=CC=C(C=C3)OC(=O)COC4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: [[2-[(2-methoxy-5-nitro-phenyl)methylene]hydrazino]-(2-pyridyl)methylene]-phenyl-ammonium
CAS Name: [[2-[(2-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-(2-pyridinyl)methylidene]-phenylammonium
IUPAC NAME: [[2-[(2-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-pyridin-2-ylmethylidene]-phenylazanium
SYSTEMATIC NAME: [[2-[(2-methoxy-5-nitro-phenyl)methylidene]hydrazinyl]-pyridin-2-yl-methylidene]-phenyl-azanium
MOLECULAR FORMULA: C20H18N5O3+
MOLECULAR WEIGHT: 376.38862
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=[NH+]C2=CC=CC=C2)C3=CC=CC=N3
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Product OPENEYE NAME: N-[(2-methoxy-5-nitro-phenyl)methyleneamino]-N'-phenyl-pyridine-2-carboxamidine
CAS Name: N-[(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenyl-2-pyridinecarboximidamide
IUPAC NAME: N-[(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
SYSTEMATIC NAME: N-[(2-methoxy-5-nitro-phenyl)methylideneamino]-N'-phenyl-pyridine-2-carboximidamide
MOLECULAR FORMULA: C20H17N5O3
MOLECULAR WEIGHT: 375.38068
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=NC2=CC=CC=C2)C3=CC=CC=N3
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