Sunday, June 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (6Z)-4-bromo-6-[[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]amino]methylene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-bromo-6-[[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]amino]methylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-bromo-6-[[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-bromanyl-6-[[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H18BrNO2
MOLECULAR WEIGHT: 312.20222
SMILES: C1CC[C@@H]([C@H](C1)CO)N/C=C\2/C=C(C=CC2=O)Br
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Product OPENEYE NAME: (6Z)-4-bromo-6-[[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-bromo-6-[[[(1S,6R)-6-(hydroxymethyl)-1-cyclohex-3-enyl]amino]methylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-bromo-6-[[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-bromanyl-6-[[[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H16BrNO2
MOLECULAR WEIGHT: 310.18634
SMILES: C1C=CC[C@@H]([C@@H]1CO)N/C=C\2/C=C(C=CC2=O)Br
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Product OPENEYE NAME: (6Z)-4-bromo-6-[[[(1S,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-4-bromo-6-[[[(1S,6S)-6-(hydroxymethyl)-1-cyclohex-3-enyl]amino]methylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-4-bromo-6-[[[(1S,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-bromanyl-6-[[[(1S,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H16BrNO2
MOLECULAR WEIGHT: 310.18634
SMILES: C1C=CC[C@@H]([C@H]1CO)N/C=C\2/C=C(C=CC2=O)Br
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Product OPENEYE NAME: 10-chloro-9-methoxy-2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine
CAS Name: 10-chloro-9-methoxy-2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine
IUPAC NAME: 10-chloro-9-methoxy-2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine
SYSTEMATIC NAME: 10-chloranyl-9-methoxy-2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine
MOLECULAR FORMULA: C21H25ClN2O
MOLECULAR WEIGHT: 356.889
SMILES: CN1CCN2CC(C3=CC(=C(C=C3CC2C1)Cl)OC)C4=CC=CC=C4
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Product OPENEYE NAME: 10-chloro-2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-9-ol
CAS Name: 10-chloro-2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-9-ol
IUPAC NAME: 10-chloro-2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-9-ol
SYSTEMATIC NAME: 10-chloranyl-2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-9-ol
MOLECULAR FORMULA: C20H23ClN2O
MOLECULAR WEIGHT: 342.86242
SMILES: CN1CCN2CC(C3=CC(=C(C=C3CC2C1)Cl)O)C4=CC=CC=C4
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Product OPENEYE NAME: 10-chloro-7-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1,2-c][3]benzazepin-9-ol
CAS Name: 10-chloro-7-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1,2-c][3]benzazepin-9-ol
IUPAC NAME: 10-chloro-7-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1,2-c][3]benzazepin-9-ol
SYSTEMATIC NAME: 10-chloranyl-7-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino[1,2-c][3]benzazepin-9-ol
MOLECULAR FORMULA: C19H21ClN2O
MOLECULAR WEIGHT: 328.83584
SMILES: C1CN2CC(C3=CC(=C(C=C3CC2CN1)Cl)O)C4=CC=CC=C4
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Product OPENEYE NAME: 4-chloro-N-hydroxy-N'-[(E)-(4-nitrophenyl)methyleneamino]benzamidine
CAS Name: 4-chloro-N-hydroxy-N'-[(E)-(4-nitrophenyl)methylideneamino]benzenecarboximidamide
IUPAC NAME: 4-chloro-N-hydroxy-N'-[(E)-(4-nitrophenyl)methylideneamino]benzenecarboximidamide
SYSTEMATIC NAME: 4-chloranyl-N'-[(E)-(4-nitrophenyl)methylideneamino]-N-oxidanyl-benzenecarboximidamide
MOLECULAR FORMULA: C14H11ClN4O3
MOLECULAR WEIGHT: 318.71514
SMILES: C1=CC(=CC=C1/C=N/N=C(\C2=CC=C(C=C2)Cl)/NO)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-N-hydroxy-N'-[(E)-2-thienylmethyleneamino]benzamidine
CAS Name: 4-chloro-N-hydroxy-N'-[(E)-thiophen-2-ylmethylideneamino]benzenecarboximidamide
IUPAC NAME: 4-chloro-N-hydroxy-N'-[(E)-thiophen-2-ylmethylideneamino]benzenecarboximidamide
SYSTEMATIC NAME: 4-chloranyl-N-oxidanyl-N'-[(E)-thiophen-2-ylmethylideneamino]benzenecarboximidamide
MOLECULAR FORMULA: C12H10ClN3OS
MOLECULAR WEIGHT: 279.7453
SMILES: C1=CSC(=C1)/C=N/N=C(\C2=CC=C(C=C2)Cl)/NO
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Product OPENEYE NAME: 4-chloro-N'-[(E)-2-furylmethyleneamino]-N-hydroxy-benzamidine
CAS Name: 4-chloro-N'-[(E)-2-furanylmethylideneamino]-N-hydroxybenzenecarboximidamide
IUPAC NAME: 4-chloro-N'-[(E)-furan-2-ylmethylideneamino]-N-hydroxybenzenecarboximidamide
SYSTEMATIC NAME: 4-chloranyl-N'-[(E)-furan-2-ylmethylideneamino]-N-oxidanyl-benzenecarboximidamide
MOLECULAR FORMULA: C12H10ClN3O2
MOLECULAR WEIGHT: 263.6797
SMILES: C1=COC(=C1)/C=N/N=C(\C2=CC=C(C=C2)Cl)/NO
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Product OPENEYE NAME: 4-chloro-N-hydroxy-N'-[(E)-1-phenylethylideneamino]benzamidine
CAS Name: 4-chloro-N-hydroxy-N'-[(E)-1-phenylethylideneamino]benzenecarboximidamide
IUPAC NAME: 4-chloro-N-hydroxy-N'-[(E)-1-phenylethylideneamino]benzenecarboximidamide
SYSTEMATIC NAME: 4-chloranyl-N-oxidanyl-N'-[(E)-1-phenylethylideneamino]benzenecarboximidamide
MOLECULAR FORMULA: C15H14ClN3O
MOLECULAR WEIGHT: 287.74416
SMILES: C/C(=N\N=C(/C1=CC=C(C=C1)Cl)\NO)/C2=CC=CC=C2
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Product OPENEYE NAME: 4-chloro-N'-[(E)-1-(4-chlorophenyl)ethylideneamino]-N-hydroxy-benzamidine
CAS Name: 4-chloro-N'-[(E)-1-(4-chlorophenyl)ethylideneamino]-N-hydroxybenzenecarboximidamide
IUPAC NAME: 4-chloro-N'-[(E)-1-(4-chlorophenyl)ethylideneamino]-N-hydroxybenzenecarboximidamide
SYSTEMATIC NAME: 4-chloranyl-N'-[(E)-1-(4-chlorophenyl)ethylideneamino]-N-oxidanyl-benzenecarboximidamide
MOLECULAR FORMULA: C15H13Cl2N3O
MOLECULAR WEIGHT: 322.18922
SMILES: C/C(=N\N=C(/C1=CC=C(C=C1)Cl)\NO)/C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: N'-[(E)-1-(4-chlorophenyl)ethylideneamino]-N-hydroxy-3-nitro-benzamidine
CAS Name: N'-[(E)-1-(4-chlorophenyl)ethylideneamino]-N-hydroxy-3-nitrobenzenecarboximidamide
IUPAC NAME: N'-[(E)-1-(4-chlorophenyl)ethylideneamino]-N-hydroxy-3-nitrobenzenecarboximidamide
SYSTEMATIC NAME: N'-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-nitro-N-oxidanyl-benzenecarboximidamide
MOLECULAR FORMULA: C15H13ClN4O3
MOLECULAR WEIGHT: 332.74172
SMILES: C/C(=N\N=C(/C1=CC(=CC=C1)[N+](=O)[O-])\NO)/C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: N-hydroxy-4-methyl-N'-[(E)-p-tolylmethyleneamino]benzamidine
CAS Name: N-hydroxy-4-methyl-N'-[(E)-(4-methylphenyl)methylideneamino]benzenecarboximidamide
IUPAC NAME: N-hydroxy-4-methyl-N'-[(E)-(4-methylphenyl)methylideneamino]benzenecarboximidamide
SYSTEMATIC NAME: 4-methyl-N'-[(E)-(4-methylphenyl)methylideneamino]-N-oxidanyl-benzenecarboximidamide
MOLECULAR FORMULA: C16H17N3O
MOLECULAR WEIGHT: 267.32568
SMILES: CC1=CC=C(C=C1)/C=N/N=C(\C2=CC=C(C=C2)C)/NO
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Product OPENEYE NAME: 2-(3-azido-2-oxo-propyl)-4,5-dichloro-6-nitro-pyridazin-3-one
CAS Name: 2-(3-azido-2-oxopropyl)-4,5-dichloro-6-nitro-3-pyridazinone
IUPAC NAME: 2-(3-azido-2-oxopropyl)-4,5-dichloro-6-nitropyridazin-3-one
SYSTEMATIC NAME: 2-(3-azido-2-oxidanylidene-propyl)-4,5-bis(chloranyl)-6-nitro-pyridazin-3-one
MOLECULAR FORMULA: C7H4Cl2N6O4
MOLECULAR WEIGHT: 307.05046
SMILES: C(C(=O)CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])Cl)Cl)N=[N+]=[N-]
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Product OPENEYE NAME: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxy-2-phenyl-ethyl)acetamide
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(2-hydroxy-2-phenylethyl)acetamide
IUPAC NAME: 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-oxidanyl-2-phenyl-ethyl)ethanamide
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: C1=CC=C(C=C1)C(CNC(=O)CN2C(=O)C3=CC=CC=C3C2=O)O
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Product OPENEYE NAME: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxy-2-phenyl-ethyl)propanamide
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(2-hydroxy-2-phenylethyl)propanamide
IUPAC NAME: 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-phenylethyl)propanamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-oxidanyl-2-phenyl-ethyl)propanamide
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: CC(C(=O)NCC(C1=CC=CC=C1)O)N2C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxy-2-phenyl-ethyl)-3-methyl-butanamide
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(2-hydroxy-2-phenylethyl)-3-methylbutanamide
IUPAC NAME: 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-phenylethyl)-3-methylbutanamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-(2-oxidanyl-2-phenyl-ethyl)butanamide
MOLECULAR FORMULA: C21H22N2O4
MOLECULAR WEIGHT: 366.41038
SMILES: CC(C)C(C(=O)NCC(C1=CC=CC=C1)O)N2C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxy-2-phenyl-ethyl)-3-phenyl-propanamide
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(2-hydroxy-2-phenylethyl)-3-phenylpropanamide
IUPAC NAME: 2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-phenylethyl)-3-phenylpropanamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-oxidanyl-2-phenyl-ethyl)-3-phenyl-propanamide
MOLECULAR FORMULA: C25H22N2O4
MOLECULAR WEIGHT: 414.45318
SMILES: C1=CC=C(C=C1)CC(C(=O)NCC(C2=CC=CC=C2)O)N3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 2-(1-chloroethyl)-5-phenyl-oxazole
CAS Name: 2-(1-chloroethyl)-5-phenyloxazole
IUPAC NAME: 2-(1-chloroethyl)-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-(1-chloroethyl)-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C11H10ClNO
MOLECULAR WEIGHT: 207.6562
SMILES: CC(C1=NC=C(O1)C2=CC=CC=C2)Cl
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Product OPENEYE NAME: 2-(1-chloro-2-methyl-propyl)-5-phenyl-oxazole
CAS Name: 2-(1-chloro-2-methylpropyl)-5-phenyloxazole
IUPAC NAME: 2-(1-chloro-2-methylpropyl)-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-(1-chloranyl-2-methyl-propyl)-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C13H14ClNO
MOLECULAR WEIGHT: 235.70936
SMILES: CC(C)C(C1=NC=C(O1)C2=CC=CC=C2)Cl
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Product OPENEYE NAME: 2-(1-chloro-2-phenyl-ethyl)-5-phenyl-oxazole
CAS Name: 2-(1-chloro-2-phenylethyl)-5-phenyloxazole
IUPAC NAME: 2-(1-chloro-2-phenylethyl)-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-(1-chloranyl-2-phenyl-ethyl)-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C17H14ClNO
MOLECULAR WEIGHT: 283.75216
SMILES: C1=CC=C(C=C1)CC(C2=NC=C(O2)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 1-(5-phenyloxazol-2-yl)ethanamine
CAS Name: 1-(5-phenyl-2-oxazolyl)ethanamine
IUPAC NAME: 1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
SYSTEMATIC NAME: 1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: CC(C1=NC=C(O1)C2=CC=CC=C2)N
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Product OPENEYE NAME: methyl 2-[[2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoyl]amino]acetate
CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]amino]acetic acid methyl ester
IUPAC NAME: methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]acetate
SYSTEMATIC NAME: methyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoyl]amino]ethanoate
MOLECULAR FORMULA: C16H18N2O5
MOLECULAR WEIGHT: 318.32452
SMILES: CC(C)C(C(=O)NCC(=O)OC)N1C(=O)C2=CC=CC=C2C1=O
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Product OPENEYE NAME: methyl 2-[[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]acetate
CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]amino]acetic acid methyl ester
IUPAC NAME: methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]acetate
SYSTEMATIC NAME: methyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]ethanoate
MOLECULAR FORMULA: C20H18N2O5
MOLECULAR WEIGHT: 366.36732
SMILES: COC(=O)CNC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O
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