Wednesday, June 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-methyl-5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-one
CAS Name: 2-methyl-4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
IUPAC NAME: 2-methyl-4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2-methyl-4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
MOLECULAR FORMULA: C16H15N3O
MOLECULAR WEIGHT: 265.3098
SMILES: CC1=CC=C(C=C1)N2C(=NN(C2=O)C)C3=CC=CC=C3
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Product OPENEYE NAME: 2-methyl-4-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-3-one
CAS Name: 2-methyl-4-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-3-one
IUPAC NAME: 2-methyl-4-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2-methyl-4-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-3-one
MOLECULAR FORMULA: C15H12N4O3
MOLECULAR WEIGHT: 296.28078
SMILES: CN1C(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (2Z)-2-(7-chloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)acetyl cyanide
CAS Name: (3Z)-3-(7-chloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)-2-oxopropanenitrile
IUPAC NAME: (2Z)-2-(7-chloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)acetyl cyanide
SYSTEMATIC NAME: (3Z)-3-(7-chloranyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)-2-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C12H6ClN5O
MOLECULAR WEIGHT: 271.66194
SMILES: C1=CC2=C(C=C1Cl)N/C(=C\C(=O)C#N)/C3=NN=CN23
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Product OPENEYE NAME: ethyl (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate
CAS Name: (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate
SYSTEMATIC NAME: ethyl (2Z)-2-(7-chloranyl-5H-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-ylidene)ethanoate
MOLECULAR FORMULA: C12H10ClN5O2
MOLECULAR WEIGHT: 291.6931
SMILES: CCOC(=O)/C=C\1/C2=NN=NN2C3=C(N1)C=C(C=C3)Cl
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Product OPENEYE NAME: ethyl (2Z)-2-(7-chloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)acetate
CAS Name: (2Z)-2-(7-chloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)acetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-(7-chloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)acetate
SYSTEMATIC NAME: ethyl (2Z)-2-(7-chloranyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylidene)ethanoate
MOLECULAR FORMULA: C13H11ClN4O2
MOLECULAR WEIGHT: 290.70504
SMILES: CCOC(=O)/C=C\1/C2=NN=CN2C3=C(N1)C=C(C=C3)Cl
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Product OPENEYE NAME: 7-methyl-[1,4]benzodioxino[3,2-c]pyridazine
CAS Name: 7-methyl-[1,4]benzodioxino[3,2-c]pyridazine
IUPAC NAME: 7-methyl-[1,4]benzodioxino[3,2-c]pyridazine
SYSTEMATIC NAME: 7-methyl-[1,4]benzodioxino[3,2-c]pyridazine
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: CC1=CC2=C(C=C1)OC3=C(O2)C=CN=N3
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Product OPENEYE NAME: 8-methyl-[1,4]benzodioxino[2,3-c]pyridazine
CAS Name: 8-methyl-[1,4]benzodioxino[2,3-c]pyridazine
IUPAC NAME: 8-methyl-[1,4]benzodioxino[2,3-c]pyridazine
SYSTEMATIC NAME: 8-methyl-[1,4]benzodioxino[2,3-c]pyridazine
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: CC1=CC2=C(C=C1)OC3=C(O2)N=NC=C3
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Product OPENEYE NAME: 4-chloro-7-methyl-[1,4]benzodioxino[3,2-c]pyridazine
CAS Name: 4-chloro-7-methyl-[1,4]benzodioxino[3,2-c]pyridazine
IUPAC NAME: 4-chloro-7-methyl-[1,4]benzodioxino[3,2-c]pyridazine
SYSTEMATIC NAME: 4-chloranyl-7-methyl-[1,4]benzodioxino[3,2-c]pyridazine
MOLECULAR FORMULA: C11H7ClN2O2
MOLECULAR WEIGHT: 234.63848
SMILES: CC1=CC2=C(C=C1)OC3=C(O2)C(=CN=N3)Cl
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Product OPENEYE NAME: 4-chloro-8-methyl-[1,4]benzodioxino[2,3-c]pyridazine
CAS Name: 4-chloro-8-methyl-[1,4]benzodioxino[2,3-c]pyridazine
IUPAC NAME: 4-chloro-8-methyl-[1,4]benzodioxino[2,3-c]pyridazine
SYSTEMATIC NAME: 4-chloranyl-8-methyl-[1,4]benzodioxino[2,3-c]pyridazine
MOLECULAR FORMULA: C11H7ClN2O2
MOLECULAR WEIGHT: 234.63848
SMILES: CC1=CC2=C(C=C1)OC3=C(O2)N=NC=C3Cl
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Product OPENEYE NAME: 4-methoxy-7-methyl-[1,4]benzodioxino[2,3-d]pyridazine
CAS Name: 4-methoxy-7-methyl-[1,4]benzodioxino[2,3-d]pyridazine
IUPAC NAME: 4-methoxy-7-methyl-[1,4]benzodioxino[2,3-d]pyridazine
SYSTEMATIC NAME: 4-methoxy-7-methyl-[1,4]benzodioxino[2,3-d]pyridazine
MOLECULAR FORMULA: C12H10N2O3
MOLECULAR WEIGHT: 230.2194
SMILES: CC1=CC2=C(C=C1)OC3=CN=NC(=C3O2)OC
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Product OPENEYE NAME: 1-methoxy-7-methyl-[1,4]benzodioxino[2,3-d]pyridazine
CAS Name: 1-methoxy-7-methyl-[1,4]benzodioxino[2,3-d]pyridazine
IUPAC NAME: 1-methoxy-7-methyl-[1,4]benzodioxino[2,3-d]pyridazine
SYSTEMATIC NAME: 1-methoxy-7-methyl-[1,4]benzodioxino[2,3-d]pyridazine
MOLECULAR FORMULA: C12H10N2O3
MOLECULAR WEIGHT: 230.2194
SMILES: CC1=CC2=C(C=C1)OC3=C(N=NC=C3O2)OC
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Product OPENEYE NAME: (E)-4-hydroxy-4-(p-tolyl)but-3-en-2-one
CAS Name: (E)-4-hydroxy-4-(4-methylphenyl)-3-buten-2-one
IUPAC NAME: (E)-4-hydroxy-4-(4-methylphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(4-methylphenyl)-4-oxidanyl-but-3-en-2-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC1=CC=C(C=C1)/C(=C\C(=O)C)/O
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Product OPENEYE NAME: (E)-4-hydroxy-4-(3-methoxyphenyl)but-3-en-2-one
CAS Name: (E)-4-hydroxy-4-(3-methoxyphenyl)-3-buten-2-one
IUPAC NAME: (E)-4-hydroxy-4-(3-methoxyphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(3-methoxyphenyl)-4-oxidanyl-but-3-en-2-one
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CC(=O)/C=C(\C1=CC(=CC=C1)OC)/O
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Product OPENEYE NAME: (E)-4-(3,4-dimethoxyphenyl)-4-hydroxy-but-3-en-2-one
CAS Name: (E)-4-(3,4-dimethoxyphenyl)-4-hydroxy-3-buten-2-one
IUPAC NAME: (E)-4-(3,4-dimethoxyphenyl)-4-hydroxybut-3-en-2-one
SYSTEMATIC NAME: (E)-4-(3,4-dimethoxyphenyl)-4-oxidanyl-but-3-en-2-one
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CC(=O)/C=C(\C1=CC(=C(C=C1)OC)OC)/O
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Product OPENEYE NAME: 1-(5,6-dichloro-3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
CAS Name: 1-(5,6-dichloro-3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
IUPAC NAME: 1-(5,6-dichloro-3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
SYSTEMATIC NAME: 1-[5,6-bis(chloranyl)-3-methyl-4H-1,4-benzothiazin-2-yl]ethanone
MOLECULAR FORMULA: C11H9Cl2NOS
MOLECULAR WEIGHT: 274.16626
SMILES: CC1=C(SC2=C(N1)C(=C(C=C2)Cl)Cl)C(=O)C
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Product OPENEYE NAME: 1-(5,7-dichloro-3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
CAS Name: 1-(5,7-dichloro-3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
IUPAC NAME: 1-(5,7-dichloro-3-methyl-4H-1,4-benzothiazin-2-yl)ethanone
SYSTEMATIC NAME: 1-[5,7-bis(chloranyl)-3-methyl-4H-1,4-benzothiazin-2-yl]ethanone
MOLECULAR FORMULA: C11H9Cl2NOS
MOLECULAR WEIGHT: 274.16626
SMILES: CC1=C(SC2=CC(=CC(=C2N1)Cl)Cl)C(=O)C
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