Friday, July 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: p-tolyl (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate
CAS Name: (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonic acid (4-methylphenyl) ester
IUPAC NAME: (4-methylphenyl) (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate
SYSTEMATIC NAME: (4-methylphenyl) (1R,5R)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate
MOLECULAR FORMULA: C14H15NO3S
MOLECULAR WEIGHT: 277.3388
SMILES: CC1=CC=C(C=C1)OS(=O)(=O)N2C=C[C@@H]3C[C@@H]2C=C3
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Product OPENEYE NAME: (4-phenylphenyl) (1R,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate
CAS Name: (1R,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonic acid (4-phenylphenyl) ester
IUPAC NAME: (4-phenylphenyl) (1R,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate
SYSTEMATIC NAME: (4-phenylphenyl) (1R,5S)-4-azabicyclo[3.2.1]octa-2,6-diene-4-sulfonate
MOLECULAR FORMULA: C19H17NO3S
MOLECULAR WEIGHT: 339.40818
SMILES: C1[C@@H]2C=C[C@H]1N(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (4-phenylphenyl) N-[4-(2-oxoethyl)cyclopent-2-en-1-yl]sulfamate
CAS Name: N-[4-(2-oxoethyl)-1-cyclopent-2-enyl]sulfamic acid (4-phenylphenyl) ester
IUPAC NAME: (4-phenylphenyl) N-[4-(2-oxoethyl)cyclopent-2-en-1-yl]sulfamate
SYSTEMATIC NAME: (4-phenylphenyl) N-[4-(2-oxidanylideneethyl)cyclopent-2-en-1-yl]sulfamate
MOLECULAR FORMULA: C19H19NO4S
MOLECULAR WEIGHT: 357.42346
SMILES: C1C(C=CC1NS(=O)(=O)OC2=CC=C(C=C2)C3=CC=CC=C3)CC=O
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Product OPENEYE NAME: (4-phenylphenyl) (1R,5S)-4-azabicyclo[3.2.1]octane-4-sulfonate
CAS Name: (1R,5S)-4-azabicyclo[3.2.1]octane-4-sulfonic acid (4-phenylphenyl) ester
IUPAC NAME: (4-phenylphenyl) (1R,5S)-4-azabicyclo[3.2.1]octane-4-sulfonate
SYSTEMATIC NAME: (4-phenylphenyl) (1R,5S)-4-azabicyclo[3.2.1]octane-4-sulfonate
MOLECULAR FORMULA: C19H21NO3S
MOLECULAR WEIGHT: 343.43994
SMILES: C1C[C@H]2C[C@H]1CCN2S(=O)(=O)OC3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (1S,5S)-4-azabicyclo[3.2.1]octane
CAS Name: (1S,5S)-4-azabicyclo[3.2.1]octane
IUPAC NAME: (1S,5S)-4-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: (1S,5S)-4-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: C1C[C@H]2C[C@@H]1CCN2
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Product OPENEYE NAME: 1-fluorosulfonyloxy-4-phenyl-benzene
CAS Name: 1-fluorosulfonyloxy-4-phenylbenzene
IUPAC NAME: 1-fluorosulfonyloxy-4-phenylbenzene
SYSTEMATIC NAME: 1-fluorosulfonyloxy-4-phenyl-benzene
MOLECULAR FORMULA: C12H9FO3S
MOLECULAR WEIGHT: 252.261463
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)F
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Product OPENEYE NAME: (1S,5S)-8-phenyl-1-(p-tolyl)-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
CAS Name: (1S,5S)-1-(4-methylphenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
IUPAC NAME: (1S,5S)-1-(4-methylphenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S)-1-(4-methylphenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
MOLECULAR FORMULA: C27H24N2O3
MOLECULAR WEIGHT: 424.49106
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@]3(C(=NO2)C4=C(C=C(C=C4C)C)C)C(=O)OC(=N3)C5=CC=CC=C5
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Product OPENEYE NAME: (1S,5S)-1-(4-chlorophenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
CAS Name: (1S,5S)-1-(4-chlorophenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
IUPAC NAME: (1S,5S)-1-(4-chlorophenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S)-1-(4-chlorophenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
MOLECULAR FORMULA: C26H21ClN2O3
MOLECULAR WEIGHT: 444.90954
SMILES: CC1=CC(=C(C(=C1)C)C2=NO[C@H]([C@]23C(=O)OC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C
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Product OPENEYE NAME: (1S,5S)-1-(4-methoxyphenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
CAS Name: (1S,5S)-1-(4-methoxyphenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
IUPAC NAME: (1S,5S)-1-(4-methoxyphenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S)-1-(4-methoxyphenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
MOLECULAR FORMULA: C27H24N2O4
MOLECULAR WEIGHT: 440.49046
SMILES: CC1=CC(=C(C(=C1)C)C2=NO[C@H]([C@]23C(=O)OC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C
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Product OPENEYE NAME: (1S,5S)-1-(4-nitrophenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
CAS Name: (1S,5S)-1-(4-nitrophenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
IUPAC NAME: (1S,5S)-1-(4-nitrophenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S)-1-(4-nitrophenyl)-8-phenyl-4-(2,4,6-trimethylphenyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
MOLECULAR FORMULA: C26H21N3O5
MOLECULAR WEIGHT: 455.46204
SMILES: CC1=CC(=C(C(=C1)C)C2=NO[C@H]([C@]23C(=O)OC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C
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Product OPENEYE NAME: (1S,5S)-4-(2,6-dichlorophenyl)-8-phenyl-1-(p-tolyl)-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
CAS Name: (1S,5S)-4-(2,6-dichlorophenyl)-1-(4-methylphenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
IUPAC NAME: (1S,5S)-4-(2,6-dichlorophenyl)-1-(4-methylphenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S)-4-[2,6-bis(chloranyl)phenyl]-1-(4-methylphenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
MOLECULAR FORMULA: C24H16Cl2N2O3
MOLECULAR WEIGHT: 451.30144
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@]3(C(=NO2)C4=C(C=CC=C4Cl)Cl)C(=O)OC(=N3)C5=CC=CC=C5
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Product OPENEYE NAME: (1S,5S)-1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
CAS Name: (1S,5S)-1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
IUPAC NAME: (1S,5S)-1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S)-4-[2,6-bis(chloranyl)phenyl]-1-(4-chlorophenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
MOLECULAR FORMULA: C23H13Cl3N2O3
MOLECULAR WEIGHT: 471.71992
SMILES: C1=CC=C(C=C1)C2=N[C@@]3([C@@H](ON=C3C4=C(C=CC=C4Cl)Cl)C5=CC=C(C=C5)Cl)C(=O)O2
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Product OPENEYE NAME: (1S,5S)-4-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
CAS Name: (1S,5S)-4-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
IUPAC NAME: (1S,5S)-4-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S)-4-[2,6-bis(chloranyl)phenyl]-1-(4-methoxyphenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
MOLECULAR FORMULA: C24H16Cl2N2O4
MOLECULAR WEIGHT: 467.30084
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@]3(C(=NO2)C4=C(C=CC=C4Cl)Cl)C(=O)OC(=N3)C5=CC=CC=C5
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Product OPENEYE NAME: (1S,5S)-4-(2,6-dichlorophenyl)-1-(4-nitrophenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
CAS Name: (1S,5S)-4-(2,6-dichlorophenyl)-1-(4-nitrophenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
IUPAC NAME: (1S,5S)-4-(2,6-dichlorophenyl)-1-(4-nitrophenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
SYSTEMATIC NAME: (1S,5S)-4-[2,6-bis(chloranyl)phenyl]-1-(4-nitrophenyl)-8-phenyl-2,7-dioxa-3,9-diazaspiro[4.4]nona-3,8-dien-6-one
MOLECULAR FORMULA: C23H13Cl2N3O5
MOLECULAR WEIGHT: 482.27242
SMILES: C1=CC=C(C=C1)C2=N[C@@]3([C@@H](ON=C3C4=C(C=CC=C4Cl)Cl)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)O2
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Product OPENEYE NAME: (5S,8R)-1-ethyl-8-(4-nitrophenyl)-2,3,4,6-tetraphenyl-9-oxa-7-azaspiro[4.4]nona-1,3,6-triene
CAS Name: (5S,8R)-1-ethyl-8-(4-nitrophenyl)-2,3,4,6-tetraphenyl-9-oxa-7-azaspiro[4.4]nona-1,3,6-triene
IUPAC NAME: (5S,8R)-1-ethyl-8-(4-nitrophenyl)-2,3,4,6-tetraphenyl-9-oxa-7-azaspiro[4.4]nona-1,3,6-triene
SYSTEMATIC NAME: (5S,8R)-1-ethyl-8-(4-nitrophenyl)-2,3,4,6-tetraphenyl-9-oxa-7-azaspiro[4.4]nona-1,3,6-triene
MOLECULAR FORMULA: C39H30N2O3
MOLECULAR WEIGHT: 574.6671
SMILES: CCC1=C(C(=C([C@]12C(=N[C@H](O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
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Product OPENEYE NAME: 2-hydroxy-3-(2-hydroxy-1,2-dimethyl-propyl)-1-methyl-quinolin-4-one
CAS Name: 2-hydroxy-3-(3-hydroxy-3-methylbutan-2-yl)-1-methyl-4-quinolinone
IUPAC NAME: 2-hydroxy-3-(3-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-4-one
SYSTEMATIC NAME: 1-methyl-3-(3-methyl-3-oxidanyl-butan-2-yl)-2-oxidanyl-quinolin-4-one
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: CC(C1=C(N(C2=CC=CC=C2C1=O)C)O)C(C)(C)O
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Product OPENEYE NAME: 4,5,5-trimethyl-3-[2-(methylamino)benzoyl]tetrahydrofuran-2-one
CAS Name: 4,5,5-trimethyl-3-[[2-(methylamino)phenyl]-oxomethyl]-2-oxolanone
IUPAC NAME: 4,5,5-trimethyl-3-[2-(methylamino)benzoyl]oxolan-2-one
SYSTEMATIC NAME: 4,5,5-trimethyl-3-[2-(methylamino)phenyl]carbonyl-oxolan-2-one
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: CC1C(C(=O)OC1(C)C)C(=O)C2=CC=CC=C2NC
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Product OPENEYE NAME: (6Z)-6-[5-(4-chloroanilino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[5-(4-chloroanilino)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[5-(4-chloroanilino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[5-[(4-chlorophenyl)amino]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H10ClN3O2
MOLECULAR WEIGHT: 287.7011
SMILES: C1=C/C(=C/2\NN=C(O2)NC3=CC=C(C=C3)Cl)/C(=O)C=C1
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Product OPENEYE NAME: (6Z)-6-[5-(3-methylanilino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[5-(3-methylanilino)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[5-(3-methylanilino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[5-[(3-methylphenyl)amino]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: CC1=CC(=CC=C1)NC2=NN/C(=C/3\C=CC=CC3=O)/O2
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Product OPENEYE NAME: (6Z)-6-[5-(4-bromoanilino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[5-(4-bromoanilino)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[5-(4-bromoanilino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[5-[(4-bromophenyl)amino]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H10BrN3O2
MOLECULAR WEIGHT: 332.1521
SMILES: C1=C/C(=C/2\NN=C(O2)NC3=CC=C(C=C3)Br)/C(=O)C=C1
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Product OPENEYE NAME: (6Z)-6-[5-(benzylamino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[5-[(phenylmethyl)amino]-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[5-(benzylamino)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[5-[(phenylmethyl)amino]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: C1=CC=C(C=C1)CNC2=NN/C(=C/3\C=CC=CC3=O)/O2
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