Wednesday, February 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[1-(1H-indol-3-ylmethyl)-2-[2-(1-naphthylmethylene)hydrazino]-2-oxo-ethyl]thiophene-2-carboxamide
CAS Name: N-[3-(1H-indol-3-yl)-1-[2-(1-naphthalenylmethylidene)hydrazinyl]-1-oxopropan-2-yl]-2-thiophenecarboxamide
IUPAC NAME: N-[3-(1H-indol-3-yl)-1-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-(1H-indol-3-yl)-1-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C27H22N4O2S
MOLECULAR WEIGHT: 466.55418
SMILES: C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5
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Product OPENEYE NAME: 4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CAS Name: 4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
IUPAC NAME: 4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 4-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C17H15ClN2O
MOLECULAR WEIGHT: 298.7668
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)Cl)C#N
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Product OPENEYE NAME: 2-[4-[5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 2-[[4-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 2-[4-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-[4-[5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C23H22BrN3O3S3
MOLECULAR WEIGHT: 564.53808
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)CCCN3C(=O)C(=CC4=CC(=CC=C4)Br)SC3=S)C(=O)N
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Product OPENEYE NAME: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)prop-2-enamide
CAS Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thiophenyl)-2-propenamide
IUPAC NAME: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide
SYSTEMATIC NAME: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide
MOLECULAR FORMULA: C16H13N3O3S2
MOLECULAR WEIGHT: 359.42272
SMILES: CC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])S2)C
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Product OPENEYE NAME: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-3-(3,5-dimethylphenoxy)-2-propanol
IUPAC NAME: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
MOLECULAR FORMULA: C21H27ClN2O2
MOLECULAR WEIGHT: 374.90428
SMILES: CC1=CC(=CC(=C1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O)C
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Product OPENEYE NAME: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate
CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate
SYSTEMATIC NAME: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate
MOLECULAR FORMULA: C29H27N3O6S
MOLECULAR WEIGHT: 545.60618
SMILES: CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: 5-(9-anthrylmethylene)-3-benzyl-2-thioxo-thiazolidin-4-one
CAS Name: 5-(9-anthracenylmethylidene)-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone
IUPAC NAME: 5-(anthracen-9-ylmethylidene)-3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-(anthracen-9-ylmethylidene)-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C25H17NOS2
MOLECULAR WEIGHT: 411.53858
SMILES: C1=CC=C(C=C1)CN2C(=O)C(=CC3=C4C=CC=CC4=CC5=CC=CC=C53)SC2=S
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Product OPENEYE NAME: 3,5-dinitro-N'-[3-(1-piperidyl)propanoyl]benzohydrazide
CAS Name: 3,5-dinitro-N'-[1-oxo-3-(1-piperidinyl)propyl]benzohydrazide
IUPAC NAME: 3,5-dinitro-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide
SYSTEMATIC NAME: 3,5-dinitro-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide
MOLECULAR FORMULA: C15H19N5O6
MOLECULAR WEIGHT: 365.34126
SMILES: C1CCN(CC1)CCC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N-[dimorpholino(phenyl)-$l^{5}-phosphanylidene]-4-ethyl-piperazine-1-carbothioamide
CAS Name: N-[bis(4-morpholinyl)-phenylphosphoranylidene]-4-ethyl-1-piperazinecarbothioamide
IUPAC NAME: N-[dimorpholin-4-yl(phenyl)-$l^{5}-phosphanylidene]-4-ethylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-[dimorpholin-4-yl(phenyl)-$l^{5}-phosphanylidene]-4-ethyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C21H34N5O2PS
MOLECULAR WEIGHT: 451.565721
SMILES: CCN1CCN(CC1)C(=S)N=P(C2=CC=CC=C2)(N3CCOCC3)N4CCOCC4
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Product OPENEYE NAME: 2-(4-anilinophenyl)-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-(4-anilinophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-(4-anilinophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-6a-methyl-8-phenyl-2-(4-phenylazanylphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C43H39N3O7
MOLECULAR WEIGHT: 709.78566
SMILES: CC12C(CC3C4C(CC=C3C1C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)C(=O)N(C2=O)C8=CC=CC=C8
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Product OPENEYE NAME: 6-[8-(3-chloro-4-fluoro-phenyl)-6-(1-hydroxy-2-naphthyl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]hexanoic acid
CAS Name: 6-[8-(3-chloro-4-fluorophenyl)-6-(1-hydroxy-2-naphthalenyl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]hexanoic acid
IUPAC NAME: 6-[8-(3-chloro-4-fluorophenyl)-6-(1-hydroxynaphthalen-2-yl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]hexanoic acid
SYSTEMATIC NAME: 6-[8-(3-chloranyl-4-fluoranyl-phenyl)-6a-methyl-1,3,7,9-tetrakis(oxidanylidene)-6-(1-oxidanylnaphthalen-2-yl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]hexanoic acid
MOLECULAR FORMULA: C37H34ClFN2O7
MOLECULAR WEIGHT: 673.126463
SMILES: CC12C(CC3C4C(CC=C3C1C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
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Product OPENEYE NAME: 2-hydroxy-4-[6-(2-hydroxy-5-methoxy-phenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]benzoic acid
CAS Name: 2-hydroxy-4-[6-(2-hydroxy-5-methoxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]benzoic acid
IUPAC NAME: 2-hydroxy-4-[6-(2-hydroxy-5-methoxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]benzoic acid
SYSTEMATIC NAME: 4-[6-(5-methoxy-2-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C42H33NO9
MOLECULAR WEIGHT: 695.71272
SMILES: COC1=CC(=C(C=C1)O)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC(=C(C=C8)C(=O)O)O
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Product OPENEYE NAME: 6-(4-hydroxy-3,5-dimethoxy-phenyl)-6a,9-diphenyl-2-(2-thienylmethyl)-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 6-(4-hydroxy-3,5-dimethoxyphenyl)-6a,9-diphenyl-2-(thiophen-2-ylmethyl)-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 6-(4-hydroxy-3,5-dimethoxyphenyl)-6a,9-diphenyl-2-(thiophen-2-ylmethyl)-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(3,5-dimethoxy-4-oxidanyl-phenyl)-6a,9-diphenyl-2-(thiophen-2-ylmethyl)-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C41H35NO7S
MOLECULAR WEIGHT: 685.7841
SMILES: COC1=CC(=CC(=C1O)OC)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CC8=CC=CS8
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Product OPENEYE NAME: 2-methyl-N-(4-phenoxyphenyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CAS Name: 2-methyl-N-(4-phenoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine
IUPAC NAME: 2-methyl-N-(4-phenoxyphenyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SYSTEMATIC NAME: 2-methyl-N-(4-phenoxyphenyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
MOLECULAR FORMULA: C24H18F3N3O
MOLECULAR WEIGHT: 421.41443
SMILES: CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: N-(2,4-difluorophenyl)-8-methoxy-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carboxamide
CAS Name: N-(2,4-difluorophenyl)-8-methoxy-5-oxo-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridine-3-carboxamide
IUPAC NAME: N-(2,4-difluorophenyl)-8-methoxy-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-8-methoxy-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carboxamide
MOLECULAR FORMULA: C20H16F2N2O4
MOLECULAR WEIGHT: 386.348846
SMILES: COC1=CC2=C(C=C1)C3=C(CN(CC3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)O2
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Product OPENEYE NAME: 2-phenyl-1H-tetrazole-5-thione
CAS Name: 2-phenyl-1H-tetrazole-5-thione
IUPAC NAME: 2-phenyl-1H-tetrazole-5-thione
SYSTEMATIC NAME: 2-phenyl-1H-1,2,3,4-tetrazole-5-thione
MOLECULAR FORMULA: C7H6N4S
MOLECULAR WEIGHT: 178.21434
SMILES: C1=CC=C(C=C1)N2NC(=S)N=N2
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Product OPENEYE NAME: N,N-diethylocta-3,5-diyn-1-amine
CAS Name: N,N-diethyl-1-octa-3,5-diynamine
IUPAC NAME: N,N-diethylocta-3,5-diyn-1-amine
SYSTEMATIC NAME: N,N-diethylocta-3,5-diyn-1-amine
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: CCC#CC#CCCN(CC)CC
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Product OPENEYE NAME: ethyl 3-amino-4-(4-methoxyphenyl)-6-methyl-isoxazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 3-amino-4-(4-methoxyphenyl)-6-methyl-5-isoxazolo[3,4-b]pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-amino-4-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-4-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C17H17N3O4
MOLECULAR WEIGHT: 327.33458
SMILES: CCOC(=O)C1=C(C2=C(ON=C2N=C1C)N)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-disec-butoxy-thioxo-$l^{5}-phosphane
CAS Name: di(butan-2-yloxy)-[(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)oxy]-sulfanylidenephosphorane
IUPAC NAME: di(butan-2-yloxy)-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: di(butan-2-yloxy)-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C13H28O5P2S
MOLECULAR WEIGHT: 358.370942
SMILES: CCC(C)OP(=S)(OC(C)CC)OP1OCC(CO1)(C)C
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Product OPENEYE NAME: 7-fluoro-5,6-dinitro-1,4-dihydroquinoxaline-2,3-dione
CAS Name: 7-fluoro-5,6-dinitro-1,4-dihydroquinoxaline-2,3-dione
IUPAC NAME: 7-fluoro-5,6-dinitro-1,4-dihydroquinoxaline-2,3-dione
SYSTEMATIC NAME: 7-fluoranyl-5,6-dinitro-1,4-dihydroquinoxaline-2,3-dione
MOLECULAR FORMULA: C8H3FN4O6
MOLECULAR WEIGHT: 270.131023
SMILES: C1=C2C(=C(C(=C1F)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(=O)N2
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