Tuesday, November 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20N2O
MOLECULAR WEIGHT: 292.3749
SMILES: COC1=CC=C(C=C1)N2CC3CCCC4=CC=CC=C4C3=N2
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Product OPENEYE NAME: [[amino-(2,2-dimethylchromen-6-yl)methylene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
CAS Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [[amino-(2,2-dimethyl-1-benzopyran-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(2,2-dimethylchromen-6-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
SYSTEMATIC NAME: [[azanyl-(2,2-dimethylchromen-6-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
MOLECULAR FORMULA: C20H18F3N3O3
MOLECULAR WEIGHT: 405.37043
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C(=NOC(=O)NC3=CC=CC(=C3)C(F)(F)F)N)C
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Product OPENEYE NAME: [[amino-(2,2-dimethylchromen-6-yl)methylene]amino] N-(2,4-dichlorophenyl)carbamate
CAS Name: N-(2,4-dichlorophenyl)carbamic acid [[amino-(2,2-dimethyl-1-benzopyran-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(2,2-dimethylchromen-6-yl)methylidene]amino] N-(2,4-dichlorophenyl)carbamate
SYSTEMATIC NAME: [[azanyl-(2,2-dimethylchromen-6-yl)methylidene]amino] N-(2,4-dichlorophenyl)carbamate
MOLECULAR FORMULA: C19H17Cl2N3O3
MOLECULAR WEIGHT: 406.26258
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C(=NOC(=O)NC3=C(C=C(C=C3)Cl)Cl)N)C
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Product OPENEYE NAME: [[amino-(2,2-dimethylchromen-6-yl)methylene]amino] N-(4-methoxyphenyl)carbamate
CAS Name: N-(4-methoxyphenyl)carbamic acid [[amino-(2,2-dimethyl-1-benzopyran-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(2,2-dimethylchromen-6-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
SYSTEMATIC NAME: [[azanyl-(2,2-dimethylchromen-6-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
MOLECULAR FORMULA: C20H21N3O4
MOLECULAR WEIGHT: 367.39844
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C(=NOC(=O)NC3=CC=C(C=C3)OC)N)C
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Product OPENEYE NAME: [[amino-(2,2-dimethylchromen-6-yl)methylene]amino] 3-(trifluoromethyl)benzoate
CAS Name: 3-(trifluoromethyl)benzoic acid [[amino-(2,2-dimethyl-1-benzopyran-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(2,2-dimethylchromen-6-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
SYSTEMATIC NAME: [[azanyl-(2,2-dimethylchromen-6-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C20H17F3N2O3
MOLECULAR WEIGHT: 390.35579
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C(=NOC(=O)C3=CC(=CC=C3)C(F)(F)F)N)C
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Product OPENEYE NAME: [[amino-(2,2-dimethylchromen-6-yl)methylene]amino] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [[amino-(2,2-dimethyl-1-benzopyran-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(2,2-dimethylchromen-6-yl)methylidene]amino] thiophene-2-carboxylate
SYSTEMATIC NAME: [[azanyl-(2,2-dimethylchromen-6-yl)methylidene]amino] thiophene-2-carboxylate
MOLECULAR FORMULA: C17H16N2O3S
MOLECULAR WEIGHT: 328.38554
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C(=NOC(=O)C3=CC=CS3)N)C
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Product OPENEYE NAME: 5-(4-chlorophenyl)-3-(2,2-dimethylchromen-6-yl)-1,2,4-oxadiazole
CAS Name: 5-(4-chlorophenyl)-3-(2,2-dimethyl-1-benzopyran-6-yl)-1,2,4-oxadiazole
IUPAC NAME: 5-(4-chlorophenyl)-3-(2,2-dimethylchromen-6-yl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(4-chlorophenyl)-3-(2,2-dimethylchromen-6-yl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C19H15ClN2O2
MOLECULAR WEIGHT: 338.7876
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C3=NOC(=N3)C4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: 3-(2,2-dimethylchromen-6-yl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CAS Name: 3-(2,2-dimethyl-1-benzopyran-6-yl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
IUPAC NAME: 3-(2,2-dimethylchromen-6-yl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(2,2-dimethylchromen-6-yl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C20H15F3N2O2
MOLECULAR WEIGHT: 372.34051
SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C3=NOC(=N3)C4=CC(=CC=C4)C(F)(F)F)C
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Product OPENEYE NAME: N-(4-fluoroanilino)-2-oxo-2-[4-(trifluoromethoxy)phenyl]acetimidoyl cyanide
CAS Name: 2-[(4-fluorophenyl)hydrazinylidene]-3-oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile
IUPAC NAME: N-(4-fluoroanilino)-2-oxo-2-[4-(trifluoromethoxy)phenyl]ethanimidoyl cyanide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)hydrazinylidene]-3-oxidanylidene-3-[4-(trifluoromethyloxy)phenyl]propanenitrile
MOLECULAR FORMULA: C16H9F4N3O2
MOLECULAR WEIGHT: 351.255173
SMILES: C1=CC(=CC=C1C(=O)C(=NNC2=CC=C(C=C2)F)C#N)OC(F)(F)F
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Product OPENEYE NAME: N-(p-tolyl)-2,3-dihydrobenzofuran-5-carboxamide
CAS Name: N-(4-methylphenyl)-2,3-dihydrobenzofuran-5-carboxamide
IUPAC NAME: N-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SYSTEMATIC NAME: N-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12ClN3O3S3
MOLECULAR WEIGHT: 437.94348
SMILES: CN1C2=C(C3=NC(=NC=C3S1(=O)=O)SCC(=O)C4=CC=C(C=C4)Cl)SC=C2
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Product OPENEYE NAME: 7-methoxy-2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole
CAS Name: 7-methoxy-2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole
IUPAC NAME: 7-methoxy-2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole
SYSTEMATIC NAME: 7-methoxy-2-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole
MOLECULAR FORMULA: C18H18N2O
MOLECULAR WEIGHT: 278.34832
SMILES: COC1=CC2=C(C=C1)C3=NN(CC3CC2)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 2-[3-(cyanomethyl)-4-oxo-phthalazin-1-yl]acetate
CAS Name: 2-[3-(cyanomethyl)-4-oxo-1-phthalazinyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(cyanomethyl)-4-oxophthalazin-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[3-(cyanomethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate
MOLECULAR FORMULA: C14H13N3O3
MOLECULAR WEIGHT: 271.27132
SMILES: CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC#N
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