Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(Z)-(1-benzylindol-3-yl)methyleneamino]-2-(1H-indol-3-yl)acetamide
CAS Name: 2-(1H-indol-3-yl)-N-[(Z)-[1-(phenylmethyl)-3-indolyl]methylideneamino]acetamide
IUPAC NAME: N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SYSTEMATIC NAME: 2-(1H-indol-3-yl)-N-[(Z)-[1-(phenylmethyl)indol-3-yl]methylideneamino]ethanamide
MOLECULAR FORMULA: C26H22N4O
MOLECULAR WEIGHT: 406.47908
SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=N\NC(=O)CC4=CNC5=CC=CC=C54
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Product OPENEYE NAME: 1-(7-chloro-4-quinolyl)-2-[(E)-indol-3-ylidenemethyl]hydrazine
CAS Name: 1-(7-chloro-4-quinolinyl)-2-[(E)-3-indolylidenemethyl]hydrazine
IUPAC NAME: 1-(7-chloroquinolin-4-yl)-2-[(E)-indol-3-ylidenemethyl]hydrazine
SYSTEMATIC NAME: 1-(7-chloranylquinolin-4-yl)-2-[(E)-indol-3-ylidenemethyl]diazane
MOLECULAR FORMULA: C18H13ClN4
MOLECULAR WEIGHT: 320.77562
SMILES: C1=CC=C2C(=C1)/C(=C\NNC3=C4C=CC(=CC4=NC=C3)Cl)/C=N2
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Product OPENEYE NAME: 2-[(Z)-(5-benzyloxyindol-3-ylidene)methyl]-1,1-dimethyl-hydrazine
CAS Name: 1,1-dimethyl-2-[(Z)-(5-phenylmethoxy-3-indolylidene)methyl]hydrazine
IUPAC NAME: 1,1-dimethyl-2-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]hydrazine
SYSTEMATIC NAME: 1,1-dimethyl-2-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]diazane
MOLECULAR FORMULA: C18H19N3O
MOLECULAR WEIGHT: 293.36296
SMILES: CN(C)N/C=C/1\C=NC2=C1C=C(C=C2)OCC3=CC=CC=C3
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Product OPENEYE NAME: N-methyl-N-[(Z)-pyren-1-ylmethyleneamino]methanamine
CAS Name: N-methyl-N-[(Z)-1-pyrenylmethylideneamino]methanamine
IUPAC NAME: N-methyl-N-[(Z)-pyren-1-ylmethylideneamino]methanamine
SYSTEMATIC NAME: N-methyl-N-[(Z)-pyren-1-ylmethylideneamino]methanamine
MOLECULAR FORMULA: C19H16N2
MOLECULAR WEIGHT: 272.34374
SMILES: CN(C)/N=C\C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
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Product OPENEYE NAME: N-(1-piperidyl)-1-(4-pyridyl)methanimine
CAS Name: N-(1-piperidinyl)-1-pyridin-4-ylmethanimine
IUPAC NAME: N-piperidin-1-yl-1-pyridin-4-ylmethanimine
SYSTEMATIC NAME: N-piperidin-1-yl-1-pyridin-4-yl-methanimine
MOLECULAR FORMULA: C11H15N3
MOLECULAR WEIGHT: 189.2569
SMILES: C1CCN(CC1)/N=C\C2=CC=NC=C2
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Product OPENEYE NAME: (Z)-2-amino-3-[[(E)-pyrrol-2-ylidenemethyl]amino]but-2-enedinitrile
CAS Name: (Z)-2-amino-3-[[(E)-2-pyrrolylidenemethyl]amino]-2-butenedinitrile
IUPAC NAME: (Z)-2-amino-3-[[(E)-pyrrol-2-ylidenemethyl]amino]but-2-enedinitrile
SYSTEMATIC NAME: (Z)-2-azanyl-3-[[(E)-pyrrol-2-ylidenemethyl]amino]but-2-enedinitrile
MOLECULAR FORMULA: C9H7N5
MOLECULAR WEIGHT: 185.18538
SMILES: C1=C/C(=C\N/C(=C(/C#N)\N)/C#N)/N=C1
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Product OPENEYE NAME: [2-(1,3-dioxoisoindolin-2-yl)phenyl]methyl-triphenyl-phosphonium
CAS Name: [2-(1,3-dioxo-2-isoindolyl)phenyl]methyl-triphenylphosphonium
IUPAC NAME: [2-(1,3-dioxoisoindol-2-yl)phenyl]methyl-triphenylphosphanium
SYSTEMATIC NAME: [2-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]methyl-triphenyl-phosphanium
MOLECULAR FORMULA: C33H25NO2P+
MOLECULAR WEIGHT: 498.530861
SMILES: C1=CC=C(C=C1)[P+](CC2=CC=CC=C2N3C(=O)C4=CC=CC=C4C3=O)(C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: [2-(2,5-dioxopyrrolidin-1-yl)phenyl]methyl-triphenyl-phosphonium
CAS Name: [2-(2,5-dioxo-1-pyrrolidinyl)phenyl]methyl-triphenylphosphonium
IUPAC NAME: [2-(2,5-dioxopyrrolidin-1-yl)phenyl]methyl-triphenylphosphanium
SYSTEMATIC NAME: [2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]methyl-triphenyl-phosphanium
MOLECULAR FORMULA: C29H25NO2P+
MOLECULAR WEIGHT: 450.488061
SMILES: C1CC(=O)N(C1=O)C2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: [2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]methyl-triphenyl-phosphonium
CAS Name: [2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]methyl-triphenylphosphonium
IUPAC NAME: [2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]methyl-triphenylphosphanium
SYSTEMATIC NAME: [2-[(3aS,7aR)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]methyl-triphenyl-phosphanium
MOLECULAR FORMULA: C33H31NO2P+
MOLECULAR WEIGHT: 504.578501
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: (6aR,10aS)-6a,7,8,9,10,10a-hexahydroisoindolo[2,3-a]indol-6-one
CAS Name: (6aR,10aS)-6a,7,8,9,10,10a-hexahydroisoindolo[2,3-a]indol-6-one
IUPAC NAME: (6aR,10aS)-6a,7,8,9,10,10a-hexahydroisoindolo[2,3-a]indol-6-one
SYSTEMATIC NAME: (6aR,10aS)-6a,7,8,9,10,10a-hexahydroisoindolo[2,3-a]indol-6-one
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: C1CC[C@@H]2[C@H](C1)C3=CC4=CC=CC=C4N3C2=O
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Product OPENEYE NAME: 4-methyl-2,3-dihydro-1,2,4-triazin-5-one
CAS Name: 4-methyl-2,3-dihydro-1,2,4-triazin-5-one
IUPAC NAME: 4-methyl-2,3-dihydro-1,2,4-triazin-5-one
SYSTEMATIC NAME: 4-methyl-2,3-dihydro-1,2,4-triazin-5-one
MOLECULAR FORMULA: C4H7N3O
MOLECULAR WEIGHT: 113.11788
SMILES: CN1CNN=CC1=O
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Product OPENEYE NAME: 6-tert-butyl-4-methyl-2,3-dihydro-1,2,4-triazin-5-one
CAS Name: 6-tert-butyl-4-methyl-2,3-dihydro-1,2,4-triazin-5-one
IUPAC NAME: 6-tert-butyl-4-methyl-2,3-dihydro-1,2,4-triazin-5-one
SYSTEMATIC NAME: 6-tert-butyl-4-methyl-2,3-dihydro-1,2,4-triazin-5-one
MOLECULAR FORMULA: C8H15N3O
MOLECULAR WEIGHT: 169.2242
SMILES: CC(C)(C)C1=NNCN(C1=O)C
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Product OPENEYE NAME: 4,6-dimethyl-3-phenyl-1,6-dihydro-1,2,4-triazin-5-one
CAS Name: 4,6-dimethyl-3-phenyl-1,6-dihydro-1,2,4-triazin-5-one
IUPAC NAME: 4,6-dimethyl-3-phenyl-1,6-dihydro-1,2,4-triazin-5-one
SYSTEMATIC NAME: 4,6-dimethyl-3-phenyl-1,6-dihydro-1,2,4-triazin-5-one
MOLECULAR FORMULA: C11H13N3O
MOLECULAR WEIGHT: 203.24042
SMILES: CC1C(=O)N(C(=NN1)C2=CC=CC=C2)C
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Product OPENEYE NAME: (2S,6R)-4-benzyl-2,6-diethyl-morpholine
CAS Name: (2S,6R)-2,6-diethyl-4-(phenylmethyl)morpholine
IUPAC NAME: (2S,6R)-4-benzyl-2,6-diethylmorpholine
SYSTEMATIC NAME: (2S,6R)-2,6-diethyl-4-(phenylmethyl)morpholine
MOLECULAR FORMULA: C15H23NO
MOLECULAR WEIGHT: 233.34922
SMILES: CC[C@H]1CN(C[C@H](O1)CC)CC2=CC=CC=C2
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Product OPENEYE NAME: (2R,6R)-4-benzyl-2,6-diethyl-morpholine
CAS Name: (2R,6R)-2,6-diethyl-4-(phenylmethyl)morpholine
IUPAC NAME: (2R,6R)-4-benzyl-2,6-diethylmorpholine
SYSTEMATIC NAME: (2R,6R)-2,6-diethyl-4-(phenylmethyl)morpholine
MOLECULAR FORMULA: C15H23NO
MOLECULAR WEIGHT: 233.34922
SMILES: CC[C@@H]1CN(C[C@H](O1)CC)CC2=CC=CC=C2
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Product OPENEYE NAME: 2-amino-7-ethanehydrazonoyl-cyclohepta-2,4,6-trien-1-one
CAS Name: 2-amino-7-[(1Z)-1-hydrazinylideneethyl]-1-cyclohepta-2,4,6-trienone
IUPAC NAME: 2-amino-7-ethanehydrazonoylcyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 2-azanyl-7-ethanehydrazonoyl-cyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: C/C(=N/N)/C1=CC=CC=C(C1=O)N
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Product OPENEYE NAME: 4-hydroxy-7-(1-hydroxyethyl)-3-imino-5-oxo-7H-furo[3,4-b]pyrazine-2-carbonitrile
CAS Name: 4-hydroxy-7-(1-hydroxyethyl)-3-imino-5-oxo-7H-furo[3,4-b]pyrazine-2-carbonitrile
IUPAC NAME: 4-hydroxy-7-(1-hydroxyethyl)-3-imino-5-oxo-7H-furo[3,4-b]pyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-azanylidene-7-(1-hydroxyethyl)-4-oxidanyl-5-oxidanylidene-7H-furo[3,4-b]pyrazine-2-carbonitrile
MOLECULAR FORMULA: C9H8N4O4
MOLECULAR WEIGHT: 236.18422
SMILES: CC(C1C2=C(C(=O)O1)N(C(=N)C(=N2)C#N)O)O
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Product OPENEYE NAME: benzyl 4-hydroxy-7-(1-hydroxyethyl)-3-imino-5-oxo-7H-furo[3,4-b]pyrazine-2-carboxylate
CAS Name: 4-hydroxy-7-(1-hydroxyethyl)-3-imino-5-oxo-7H-furo[3,4-b]pyrazine-2-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-hydroxy-7-(1-hydroxyethyl)-3-imino-5-oxo-7H-furo[3,4-b]pyrazine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-azanylidene-7-(1-hydroxyethyl)-4-oxidanyl-5-oxidanylidene-7H-furo[3,4-b]pyrazine-2-carboxylate
MOLECULAR FORMULA: C16H15N3O6
MOLECULAR WEIGHT: 345.3068
SMILES: CC(C1C2=C(C(=O)O1)N(C(=N)C(=N2)C(=O)OCC3=CC=CC=C3)O)O
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Product OPENEYE NAME: benzyl 3-amino-7-(1-hydroxyethyl)-5-oxo-7H-furo[3,4-b]pyrazine-2-carboxylate
CAS Name: 3-amino-7-(1-hydroxyethyl)-5-oxo-7H-furo[3,4-b]pyrazine-2-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-amino-7-(1-hydroxyethyl)-5-oxo-7H-furo[3,4-b]pyrazine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-azanyl-7-(1-hydroxyethyl)-5-oxidanylidene-7H-furo[3,4-b]pyrazine-2-carboxylate
MOLECULAR FORMULA: C16H15N3O5
MOLECULAR WEIGHT: 329.3074
SMILES: CC(C1C2=C(C(=O)O1)N=C(C(=N2)C(=O)OCC3=CC=CC=C3)N)O
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Product OPENEYE NAME: methyl 3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
CAS Name: 3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
SYSTEMATIC NAME: methyl 3-oxidanylidene-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
MOLECULAR FORMULA: C10H16O5
MOLECULAR WEIGHT: 216.23104
SMILES: C[C@H]1[C@H](OC(O1)(C)C)C(=O)CC(=O)OC
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Product OPENEYE NAME: tert-butyl 3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
CAS Name: 3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoic acid tert-butyl ester
IUPAC NAME: tert-butyl 3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
SYSTEMATIC NAME: tert-butyl 3-oxidanylidene-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
MOLECULAR FORMULA: C13H22O5
MOLECULAR WEIGHT: 258.31078
SMILES: C[C@H]1[C@H](OC(O1)(C)C)C(=O)CC(=O)OC(C)(C)C
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Product OPENEYE NAME: methyl (2Z)-2-hydroxyimino-3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
CAS Name: (2Z)-2-hydroxyimino-3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoic acid methyl ester
IUPAC NAME: methyl (2Z)-2-hydroxyimino-3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
SYSTEMATIC NAME: methyl (2Z)-2-hydroxyimino-3-oxidanylidene-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
MOLECULAR FORMULA: C10H15NO6
MOLECULAR WEIGHT: 245.2292
SMILES: C[C@H]1[C@H](OC(O1)(C)C)C(=O)/C(=N/O)/C(=O)OC
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Product OPENEYE NAME: tert-butyl (2Z)-2-hydroxyimino-3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
CAS Name: (2Z)-2-hydroxyimino-3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoic acid tert-butyl ester
IUPAC NAME: tert-butyl (2Z)-2-hydroxyimino-3-oxo-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
SYSTEMATIC NAME: tert-butyl (2Z)-2-hydroxyimino-3-oxidanylidene-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoate
MOLECULAR FORMULA: C13H21NO6
MOLECULAR WEIGHT: 287.30894
SMILES: C[C@H]1[C@H](OC(O1)(C)C)C(=O)/C(=N/O)/C(=O)OC(C)(C)C
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Product OPENEYE NAME: 2-methylsulfinyl-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanone
CAS Name: 2-methylsulfinyl-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanone
IUPAC NAME: 2-methylsulfinyl-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanone
SYSTEMATIC NAME: 2-methylsulfinyl-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanone
MOLECULAR FORMULA: C9H16O4S
MOLECULAR WEIGHT: 220.28594
SMILES: C[C@H]1[C@H](OC(O1)(C)C)C(=O)CS(=O)C
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