Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 6a-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyphenyl)vinyl]phenyl]-8-(4-fluoroanilino)-6-[2-(4-hydroxy-3-methoxy-phenyl)vinyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-8-(4-fluoroanilino)-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-8-(4-fluoroanilino)-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-8-[(4-fluorophenyl)amino]-6-[2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C51H43ClFN3O8
MOLECULAR WEIGHT: 880.353823
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)C4CC=C5C(C4C3=O)CC6C(=O)N(C(=O)C6(C5C=CC7=CC(=C(C=C7)O)OC)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
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Product OPENEYE NAME: 6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(6-hydroxy-4H-chromen-3-yl)-2-(4-nitrophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(6-hydroxy-4H-1-benzopyran-3-yl)-2-(4-nitrophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(6-hydroxy-4H-chromen-3-yl)-2-(4-nitrophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a-(4-chlorophenyl)-8-[(4-fluorophenyl)amino]-2-(4-nitrophenyl)-6-(6-oxidanyl-4H-chromen-3-yl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C41H30ClFN4O8
MOLECULAR WEIGHT: 761.150303
SMILES: C1C=C2C(CC3C(=O)N(C(=O)C3(C2C4=COC5=C(C4)C=C(C=C5)O)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F)C8C1C(=O)N(C8=O)C9=CC=C(C=C9)[N+](=O)[O-]
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Product OPENEYE NAME: 6-(5-chloro-2-hydroxy-phenyl)-8-(4-methylanilino)-1,3,7,9-tetraoxo-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxamide
CAS Name: 6-(5-chloro-2-hydroxyphenyl)-8-(4-methylanilino)-1,3,7,9-tetraoxo-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxamide
IUPAC NAME: 6-(5-chloro-2-hydroxyphenyl)-8-(4-methylanilino)-1,3,7,9-tetraoxo-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxamide
SYSTEMATIC NAME: 6-(5-chloranyl-2-oxidanyl-phenyl)-8-[(4-methylphenyl)amino]-1,3,7,9-tetrakis(oxidanylidene)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxamide
MOLECULAR FORMULA: C34H29ClN4O6
MOLECULAR WEIGHT: 625.07026
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)Cl)O)C(=O)N(C5=O)C(=O)N
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Product OPENEYE NAME: 6-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CAS Name: 6-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC NAME: 6-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanylidene-6-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C19H14BrN5O4S
MOLECULAR WEIGHT: 488.31456
SMILES: CC(C)C1=NN2C(=N)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C(=O)N=C2S1
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Product OPENEYE NAME: N,N'-bis(4-bromophenyl)butanediamide
CAS Name: N,N'-bis(4-bromophenyl)butanediamide
IUPAC NAME: N,N'-bis(4-bromophenyl)butanediamide
SYSTEMATIC NAME: N,N'-bis(4-bromophenyl)butanediamide
MOLECULAR FORMULA: C16H14Br2N2O2
MOLECULAR WEIGHT: 426.10256
SMILES: C1=CC(=CC=C1NC(=O)CCC(=O)NC2=CC=C(C=C2)Br)Br
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Product OPENEYE NAME: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[[(3-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 6-tert-butyl-N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C29H34N2O2S
MOLECULAR WEIGHT: 474.65746
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CC(=CC=C4)C)C
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(iodomethyl)-4,5-dihydrothiazol-3-ium-2-amine
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(iodomethyl)-4,5-dihydrothiazol-3-ium-2-amine
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(iodanylmethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine
MOLECULAR FORMULA: C12H14IN2O2S+
MOLECULAR WEIGHT: 377.22123
SMILES: C1COC2=C(O1)C=CC(=C2)NC3=[NH+]CC(S3)CI
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-3-methoxy-benzamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methoxybenzamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methoxybenzamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-3-methoxy-benzamide
MOLECULAR FORMULA: C15H12ClFN2O2
MOLECULAR WEIGHT: 306.719383
SMILES: COC1=CC=CC(=C1)C(=O)NN=CC2=C(C=CC=C2Cl)F
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Product OPENEYE NAME: 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
CAS Name: 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
IUPAC NAME: 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
SYSTEMATIC NAME: N-(2-phenoxyethyl)-7-(phenylsulfonylamino)heptanamide
MOLECULAR FORMULA: C21H28N2O4S
MOLECULAR WEIGHT: 404.52302
SMILES: C1=CC=C(C=C1)OCCNC(=O)CCCCCCNS(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [[4-bromo-2-[(4-chlorophenyl)methyl]pyrazol-3-yl]methyleneamino] N-methylcarbamate
CAS Name: N-methylcarbamic acid [[4-bromo-2-[(4-chlorophenyl)methyl]-3-pyrazolyl]methylideneamino] ester
IUPAC NAME: [[4-bromo-2-[(4-chlorophenyl)methyl]pyrazol-3-yl]methylideneamino] N-methylcarbamate
SYSTEMATIC NAME: [[4-bromanyl-2-[(4-chlorophenyl)methyl]pyrazol-3-yl]methylideneamino] N-methylcarbamate
MOLECULAR FORMULA: C13H12BrClN4O2
MOLECULAR WEIGHT: 371.61698
SMILES: CNC(=O)ON=CC1=C(C=NN1CC2=CC=C(C=C2)Cl)Br
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