Wednesday, May 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (4-benzylsulfonylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridyl]methanone
CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
IUPAC NAME: (4-benzylsulfonylpiperazin-1-yl)-[5-(trifluoromethyl)pyridin-2-yl]methanone
SYSTEMATIC NAME: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-[5-(trifluoromethyl)pyridin-2-yl]methanone
MOLECULAR FORMULA: C18H18F3N3O3S
MOLECULAR WEIGHT: 413.41403
SMILES: C1CN(CCN1C(=O)C2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3
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Product OPENEYE NAME: 2-hydroxyethyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 2-(2-fluoroanilino)pyridine-3-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate
MOLECULAR FORMULA: C14H13FN2O3
MOLECULAR WEIGHT: 276.263023
SMILES: C1=CC=C(C(=C1)NC2=C(C=CC=N2)C(=O)OCCO)F
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Product OPENEYE NAME: 3-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide
CAS Name: 3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide
IUPAC NAME: 3-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
SYSTEMATIC NAME: 3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide
MOLECULAR FORMULA: C23H26N4O6
MOLECULAR WEIGHT: 454.47574
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)[C@@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: 3-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide
CAS Name: 3-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide
IUPAC NAME: 3-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
SYSTEMATIC NAME: 3-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide
MOLECULAR FORMULA: C23H26N4O6
MOLECULAR WEIGHT: 454.47574
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)[C@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: 3-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide
CAS Name: 3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)propanamide
IUPAC NAME: 3-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
SYSTEMATIC NAME: 3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide
MOLECULAR FORMULA: C23H26N4O6
MOLECULAR WEIGHT: 454.47574
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)[C@@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: 3-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide
CAS Name: 3-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-N-(2-methyl-3-nitrophenyl)propanamide
IUPAC NAME: 3-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
SYSTEMATIC NAME: 3-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide
MOLECULAR FORMULA: C23H26N4O6
MOLECULAR WEIGHT: 454.47574
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)[C@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: N-(4-oxoquinazolin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CAS Name: N-(4-oxo-3-quinazolinyl)-5-(trifluoromethyl)-2-pyridinecarboxamide
IUPAC NAME: N-(4-oxoquinazolin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-(4-oxidanylidenequinazolin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C15H9F3N4O2
MOLECULAR WEIGHT: 334.25277
SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: N-(4-oxoquinazolin-3-yl)-3-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzamide
CAS Name: 3-[[(2S)-2-oxolanyl]methoxy]-N-(4-oxo-3-quinazolinyl)benzamide
IUPAC NAME: 3-[[(2S)-oxolan-2-yl]methoxy]-N-(4-oxoquinazolin-3-yl)benzamide
SYSTEMATIC NAME: N-(4-oxidanylidenequinazolin-3-yl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
MOLECULAR FORMULA: C20H19N3O4
MOLECULAR WEIGHT: 365.38256
SMILES: C1C[C@H](OC1)COC2=CC=CC(=C2)C(=O)NN3C=NC4=CC=CC=C4C3=O
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Product OPENEYE NAME: N-(4-oxoquinazolin-3-yl)-3-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzamide
CAS Name: 3-[[(2R)-2-oxolanyl]methoxy]-N-(4-oxo-3-quinazolinyl)benzamide
IUPAC NAME: 3-[[(2R)-oxolan-2-yl]methoxy]-N-(4-oxoquinazolin-3-yl)benzamide
SYSTEMATIC NAME: N-(4-oxidanylidenequinazolin-3-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
MOLECULAR FORMULA: C20H19N3O4
MOLECULAR WEIGHT: 365.38256
SMILES: C1C[C@@H](OC1)COC2=CC=CC(=C2)C(=O)NN3C=NC4=CC=CC=C4C3=O
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Product OPENEYE NAME: N-[4-(dimethylsulfamoyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CAS Name: N-[4-(dimethylsulfamoyl)phenyl]-5-(trifluoromethyl)-2-pyridinecarboxamide
IUPAC NAME: N-[4-(dimethylsulfamoyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-[4-(dimethylsulfamoyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C15H14F3N3O3S
MOLECULAR WEIGHT: 373.35017
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: N-(2-hydroxy-4-methyl-phenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CAS Name: N-(2-hydroxy-4-methylphenyl)-5-(trifluoromethyl)-2-pyridinecarboxamide
IUPAC NAME: N-(2-hydroxy-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-(4-methyl-2-oxidanyl-phenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C14H11F3N2O2
MOLECULAR WEIGHT: 296.24455
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=NC=C(C=C2)C(F)(F)F)O
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Product OPENEYE NAME: N-(4-nitrophenyl)-3-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide
CAS Name: N-(4-nitrophenyl)-3-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide
IUPAC NAME: N-(4-nitrophenyl)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: N-(4-nitrophenyl)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C17H20N3O3S+
MOLECULAR WEIGHT: 346.424
SMILES: C1C[C@@H]([NH+](C1)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3
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Product OPENEYE NAME: N-(4-nitrophenyl)-3-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]propanamide
CAS Name: N-(4-nitrophenyl)-3-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]propanamide
IUPAC NAME: N-(4-nitrophenyl)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SYSTEMATIC NAME: N-(4-nitrophenyl)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
MOLECULAR FORMULA: C17H19N3O3S
MOLECULAR WEIGHT: 345.41606
SMILES: C1C[C@@H](N(C1)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3
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Product OPENEYE NAME: N-(4-nitrophenyl)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide
CAS Name: N-(4-nitrophenyl)-3-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide
IUPAC NAME: N-(4-nitrophenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: N-(4-nitrophenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C17H20N3O3S+
MOLECULAR WEIGHT: 346.424
SMILES: C1C[C@H]([NH+](C1)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3
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Product OPENEYE NAME: N-(4-nitrophenyl)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]propanamide
CAS Name: N-(4-nitrophenyl)-3-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]propanamide
IUPAC NAME: N-(4-nitrophenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SYSTEMATIC NAME: N-(4-nitrophenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
MOLECULAR FORMULA: C17H19N3O3S
MOLECULAR WEIGHT: 345.41606
SMILES: C1C[C@H](N(C1)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3
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