Sunday, January 22, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate
CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate
IUPAC NAME: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate
SYSTEMATIC NAME: 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanoate
MOLECULAR FORMULA: C13H13N2O3-
MOLECULAR WEIGHT: 245.25392
SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCC(=O)[O-]
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Product OPENEYE NAME: (4,6-dimethylpyrimidin-2-yl)-(2,4,6-trimethylphenyl)sulfonyl-azanide
CAS Name: (4,6-dimethyl-2-pyrimidinyl)-(2,4,6-trimethylphenyl)sulfonylazanide
IUPAC NAME: (4,6-dimethylpyrimidin-2-yl)-(2,4,6-trimethylphenyl)sulfonylazanide
SYSTEMATIC NAME: (4,6-dimethylpyrimidin-2-yl)-(2,4,6-trimethylphenyl)sulfonyl-azanide
MOLECULAR FORMULA: C15H18N3O2S-
MOLECULAR WEIGHT: 304.38732
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)[N-]C2=NC(=CC(=N2)C)C)C
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Product OPENEYE NAME: 2-(2-methylallylsulfanyl)-6-phenyl-4-(2-thienyl)pyridin-1-ium-3-carbonitrile
CAS Name: 2-(2-methylprop-2-enylthio)-6-phenyl-4-thiophen-2-yl-3-pyridin-1-iumcarbonitrile
IUPAC NAME: 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridin-1-ium-3-carbonitrile
SYSTEMATIC NAME: 2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-yl-pyridin-1-ium-3-carbonitrile
MOLECULAR FORMULA: C20H17N2S2+
MOLECULAR WEIGHT: 349.49238
SMILES: CC(=C)CSC1=C(C(=CC(=[NH+]1)C2=CC=CC=C2)C3=CC=CS3)C#N
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Product OPENEYE NAME: 4-bromo-N'-(1-methylprop-1-enyl)benzohydrazide
CAS Name: 4-bromo-N'-but-2-en-2-ylbenzohydrazide
IUPAC NAME: 4-bromo-N'-but-2-en-2-ylbenzohydrazide
SYSTEMATIC NAME: 4-bromanyl-N'-but-2-en-2-yl-benzohydrazide
MOLECULAR FORMULA: C11H13BrN2O
MOLECULAR WEIGHT: 269.13772
SMILES: CC=C(C)NNC(=O)C1=CC=C(C=C1)Br
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Product OPENEYE NAME: 2-(2,4-dimethoxyphenyl)-N-(9,10-dioxo-1-anthryl)quinoline-4-carboxamide
CAS Name: 2-(2,4-dimethoxyphenyl)-N-(9,10-dioxo-1-anthracenyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(2,4-dimethoxyphenyl)-N-(9,10-dioxoanthracen-1-yl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C32H22N2O5
MOLECULAR WEIGHT: 514.52748
SMILES: COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)OC
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Product OPENEYE NAME: N-(4-butylphenyl)-2,6-dimethoxy-benzamide
CAS Name: N-(4-butylphenyl)-2,6-dimethoxybenzamide
IUPAC NAME: N-(4-butylphenyl)-2,6-dimethoxybenzamide
SYSTEMATIC NAME: N-(4-butylphenyl)-2,6-dimethoxy-benzamide
MOLECULAR FORMULA: C19H23NO3
MOLECULAR WEIGHT: 313.39082
SMILES: CCCCC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC
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Product OPENEYE NAME: 1-(4-benzhydrylpiperazin-1-yl)-3-chloro-propan-1-one
CAS Name: 3-chloro-1-[4-(diphenylmethyl)-1-piperazinyl]-1-propanone
IUPAC NAME: 1-(4-benzhydrylpiperazin-1-yl)-3-chloropropan-1-one
SYSTEMATIC NAME: 3-chloranyl-1-[4-(diphenylmethyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C20H23ClN2O
MOLECULAR WEIGHT: 342.86242
SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCl
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Product OPENEYE NAME: 2-[(4-chlorophenoxy)methyl]-5-(4-ethoxyanilino)oxazole-4-carbonitrile
CAS Name: 2-[(4-chlorophenoxy)methyl]-5-(4-ethoxyanilino)-4-oxazolecarbonitrile
IUPAC NAME: 2-[(4-chlorophenoxy)methyl]-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
SYSTEMATIC NAME: 2-[(4-chloranylphenoxy)methyl]-5-[(4-ethoxyphenyl)amino]-1,3-oxazole-4-carbonitrile
MOLECULAR FORMULA: C19H16ClN3O3
MOLECULAR WEIGHT: 369.80164
SMILES: CCOC1=CC=C(C=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N
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Product OPENEYE NAME: N-[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CAS Name: N-[4-[4-(1-benzimidazolylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-1-(2,2,2-trifluoro-1-oxoethyl)-2-pyrrolidinecarboxamide
IUPAC NAME: N-[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-[4-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C32H31F3N4O5
MOLECULAR WEIGHT: 608.60755
SMILES: C1CC(N(C1)C(=O)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CN5C=NC6=CC=CC=C65
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