Wednesday, July 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (6R,7R,7aR)-1-benzhydrylidene-7-benzoyl-4,6-diphenyl-7,7a-dihydro-6H-inden-5-one
CAS Name: (6R,7R,7aR)-7-benzoyl-1-(diphenylmethylene)-4,6-diphenyl-7,7a-dihydro-6H-inden-5-one
IUPAC NAME: (6R,7R,7aR)-1-benzhydrylidene-7-benzoyl-4,6-diphenyl-7,7a-dihydro-6H-inden-5-one
SYSTEMATIC NAME: (6R,7R,7aR)-1-(diphenylmethylidene)-4,6-diphenyl-7-(phenylcarbonyl)-7,7a-dihydro-6H-inden-5-one
MOLECULAR FORMULA: C41H30O2
MOLECULAR WEIGHT: 554.6757
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H]([C@H]3C(=C(C2=O)C4=CC=CC=C4)C=CC3=C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C7=CC=CC=C7
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Product OPENEYE NAME: (2,4,6-triphenylpyrylium-3-yl) acetate
CAS Name: acetic acid (2,4,6-triphenyl-3-pyryliumyl) ester
IUPAC NAME: (2,4,6-triphenylpyrylium-3-yl) acetate
SYSTEMATIC NAME: (2,4,6-triphenylpyrylium-3-yl) ethanoate
MOLECULAR FORMULA: C25H19O3+
MOLECULAR WEIGHT: 367.41656
SMILES: CC(=O)OC1=C([O+]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H30O2
MOLECULAR WEIGHT: 554.6757
SMILES: C1=CC=C(C=C1)C2=C[C@]3([C@@H]4C=CC(=C(C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]4[C@@](C2=O)(O3)C7=CC=CC=C7)C8=CC=CC=C8
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H30O2
MOLECULAR WEIGHT: 554.6757
SMILES: C1=CC=C(C=C1)C2=C[C@@]3([C@H]4[C@H](C=CC4=C(C5=CC=CC=C5)C6=CC=CC=C6)[C@](C2=O)(O3)C7=CC=CC=C7)C8=CC=CC=C8
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Product OPENEYE NAME: N-[(Z)-(4-nitrophenyl)methyleneamino]-4-phenyl-1H-pyrazol-5-amine
CAS Name: N-[(Z)-(4-nitrophenyl)methylideneamino]-4-phenyl-1H-pyrazol-5-amine
IUPAC NAME: N-[(Z)-(4-nitrophenyl)methylideneamino]-4-phenyl-1H-pyrazol-5-amine
SYSTEMATIC NAME: N-[(Z)-(4-nitrophenyl)methylideneamino]-4-phenyl-1H-pyrazol-5-amine
MOLECULAR FORMULA: C16H13N5O2
MOLECULAR WEIGHT: 307.30672
SMILES: C1=CC=C(C=C1)C2=C(NN=C2)N/N=C\C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (3Z)-3-(methylaminohydrazono)pyrazole
CAS Name: (3Z)-3-(methylaminohydrazinylidene)pyrazole
IUPAC NAME: (3Z)-3-(methylaminohydrazinylidene)pyrazole
SYSTEMATIC NAME: (3Z)-3-(methylaminohydrazinylidene)pyrazole
MOLECULAR FORMULA: C4H7N5
MOLECULAR WEIGHT: 125.13188
SMILES: CNN/N=C\1/C=CN=N1
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Product OPENEYE NAME: (3Z)-3-(methylaminohydrazono)-5-phenyl-1,2,4-triazole
CAS Name: (3Z)-3-(methylaminohydrazinylidene)-5-phenyl-1,2,4-triazole
IUPAC NAME: (3Z)-3-(methylaminohydrazinylidene)-5-phenyl-1,2,4-triazole
SYSTEMATIC NAME: (3Z)-3-(methylaminohydrazinylidene)-5-phenyl-1,2,4-triazole
MOLECULAR FORMULA: C9H10N6
MOLECULAR WEIGHT: 202.2159
SMILES: CNN/N=C\1/N=C(N=N1)C2=CC=CC=C2
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Product OPENEYE NAME: (3Z)-3-[(2-methoxyphenyl)-(2-phenylhydrazino)methylene]quinoxalin-2-one
CAS Name: (3Z)-3-[(2-methoxyphenyl)-(phenylhydrazo)methylidene]-2-quinoxalinone
IUPAC NAME: (3Z)-3-[(2-methoxyphenyl)-(2-phenylhydrazinyl)methylidene]quinoxalin-2-one
SYSTEMATIC NAME: (3Z)-3-[(2-methoxyphenyl)-(2-phenylhydrazinyl)methylidene]quinoxalin-2-one
MOLECULAR FORMULA: C22H18N4O2
MOLECULAR WEIGHT: 370.40392
SMILES: COC1=CC=CC=C1/C(=C/2\C(=O)N=C3C=CC=CC3=N2)/NNC4=CC=CC=C4
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Product OPENEYE NAME: (3Z)-3-[(2-hydroxyphenyl)-nitroso-methylene]-1,4-dihydroquinoxalin-2-one
CAS Name: (3Z)-3-[(2-hydroxyphenyl)-nitrosomethylidene]-1,4-dihydroquinoxalin-2-one
IUPAC NAME: (3Z)-3-[(2-hydroxyphenyl)-nitrosomethylidene]-1,4-dihydroquinoxalin-2-one
SYSTEMATIC NAME: (3Z)-3-[(2-hydroxyphenyl)-nitroso-methylidene]-1,4-dihydroquinoxalin-2-one
MOLECULAR FORMULA: C15H11N3O3
MOLECULAR WEIGHT: 281.26614
SMILES: C1=CC=C(C(=C1)/C(=C/2\C(=O)NC3=CC=CC=C3N2)/N=O)O
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Product OPENEYE NAME: (Z)-3-(1-phenyl-2-thioxo-3-pyridyl)prop-2-enenitrile
CAS Name: (Z)-3-(1-phenyl-2-sulfanylidene-3-pyridinyl)-2-propenenitrile
IUPAC NAME: (Z)-3-(1-phenyl-2-sulfanylidenepyridin-3-yl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(1-phenyl-2-sulfanylidene-pyridin-3-yl)prop-2-enenitrile
MOLECULAR FORMULA: C14H10N2S
MOLECULAR WEIGHT: 238.3076
SMILES: C1=CC=C(C=C1)N2C=CC=C(C2=S)/C=C\C#N
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Product OPENEYE NAME: (Z)-3-(1-cyclohexyl-2-thioxo-3-pyridyl)prop-2-enenitrile
CAS Name: (Z)-3-(1-cyclohexyl-2-sulfanylidene-3-pyridinyl)-2-propenenitrile
IUPAC NAME: (Z)-3-(1-cyclohexyl-2-sulfanylidenepyridin-3-yl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(1-cyclohexyl-2-sulfanylidene-pyridin-3-yl)prop-2-enenitrile
MOLECULAR FORMULA: C14H16N2S
MOLECULAR WEIGHT: 244.35524
SMILES: C1CCC(CC1)N2C=CC=C(C2=S)/C=C\C#N
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Product OPENEYE NAME: (Z)-3-[1-(4-methoxyphenyl)-2-selenoxo-3-pyridyl]prop-2-enamide
CAS Name: (Z)-3-[1-(4-methoxyphenyl)-2-selanylidene-3-pyridinyl]-2-propenamide
IUPAC NAME: (Z)-3-[1-(4-methoxyphenyl)-2-selanylidenepyridin-3-yl]prop-2-enamide
SYSTEMATIC NAME: (Z)-3-[1-(4-methoxyphenyl)-2-selanylidene-pyridin-3-yl]prop-2-enamide
MOLECULAR FORMULA: C15H14N2O2Se
MOLECULAR WEIGHT: 333.24386
SMILES: COC1=CC=C(C=C1)N2C=CC=C(C2=[Se])/C=C\C(=O)N
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Product OPENEYE NAME: methyl (Z)-3-(1-phenyl-2-thioxo-3-pyridyl)prop-2-enoate
CAS Name: (Z)-3-(1-phenyl-2-sulfanylidene-3-pyridinyl)-2-propenoic acid methyl ester
IUPAC NAME: methyl (Z)-3-(1-phenyl-2-sulfanylidenepyridin-3-yl)prop-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-(1-phenyl-2-sulfanylidene-pyridin-3-yl)prop-2-enoate
MOLECULAR FORMULA: C15H13NO2S
MOLECULAR WEIGHT: 271.33422
SMILES: COC(=O)/C=C\C1=CC=CN(C1=S)C2=CC=CC=C2
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Product OPENEYE NAME: (3S,4R)-3-ethyl-4-methyl-piperidine
CAS Name: (3S,4R)-3-ethyl-4-methylpiperidine
IUPAC NAME: (3S,4R)-3-ethyl-4-methylpiperidine
SYSTEMATIC NAME: (3S,4R)-3-ethyl-4-methyl-piperidine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CC[C@@H]1CNCC[C@H]1C
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Product OPENEYE NAME: (2R,6S)-2,6-diethyl-N-(2-phenylethyl)morpholine-4-carboxamide
CAS Name: (2R,6S)-2,6-diethyl-N-(2-phenylethyl)-4-morpholinecarboxamide
IUPAC NAME: (2R,6S)-2,6-diethyl-N-(2-phenylethyl)morpholine-4-carboxamide
SYSTEMATIC NAME: (2R,6S)-2,6-diethyl-N-(2-phenylethyl)morpholine-4-carboxamide
MOLECULAR FORMULA: C17H26N2O2
MOLECULAR WEIGHT: 290.40054
SMILES: CC[C@H]1CN(C[C@H](O1)CC)C(=O)NCCC2=CC=CC=C2
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Product OPENEYE NAME: (2S,6S)-2,6-diethylmorpholine
CAS Name: (2S,6S)-2,6-diethylmorpholine
IUPAC NAME: (2S,6S)-2,6-diethylmorpholine
SYSTEMATIC NAME: (2S,6S)-2,6-diethylmorpholine
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CC[C@H]1CNC[C@@H](O1)CC
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Product OPENEYE NAME: (2S,6S)-2,6-diethyl-N-phenyl-morpholine-4-carbothioamide
CAS Name: (2S,6S)-2,6-diethyl-N-phenyl-4-morpholinecarbothioamide
IUPAC NAME: (2S,6S)-2,6-diethyl-N-phenylmorpholine-4-carbothioamide
SYSTEMATIC NAME: (2S,6S)-2,6-diethyl-N-phenyl-morpholine-4-carbothioamide
MOLECULAR FORMULA: C15H22N2OS
MOLECULAR WEIGHT: 278.41298
SMILES: CC[C@H]1CN(C[C@@H](O1)CC)C(=S)NC2=CC=CC=C2
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