Tuesday, February 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: allyl N-(2,3-dichlorophenyl)carbamate
CAS Name: N-(2,3-dichlorophenyl)carbamic acid prop-2-enyl ester
IUPAC NAME: prop-2-enyl N-(2,3-dichlorophenyl)carbamate
SYSTEMATIC NAME: prop-2-enyl N-[2,3-bis(chloranyl)phenyl]carbamate
MOLECULAR FORMULA: C10H9Cl2NO2
MOLECULAR WEIGHT: 246.08996
SMILES: C=CCOC(=O)NC1=C(C(=CC=C1)Cl)Cl
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Product OPENEYE NAME: 2-(diethylamino)ethyl N-(3-methoxyphenyl)carbamate
CAS Name: N-(3-methoxyphenyl)carbamic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl N-(3-methoxyphenyl)carbamate
SYSTEMATIC NAME: 2-(diethylamino)ethyl N-(3-methoxyphenyl)carbamate
MOLECULAR FORMULA: C14H22N2O3
MOLECULAR WEIGHT: 266.33608
SMILES: CCN(CC)CCOC(=O)NC1=CC(=CC=C1)OC
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Product OPENEYE NAME: (4-chlorophenyl) N-(3,4-dimethylphenyl)carbamate
CAS Name: N-(3,4-dimethylphenyl)carbamic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) N-(3,4-dimethylphenyl)carbamate
SYSTEMATIC NAME: (4-chlorophenyl) N-(3,4-dimethylphenyl)carbamate
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: CC1=C(C=C(C=C1)NC(=O)OC2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: 2-chloro-N-(4-hexadecylsulfonylphenyl)acetamide
CAS Name: 2-chloro-N-(4-hexadecylsulfonylphenyl)acetamide
IUPAC NAME: 2-chloro-N-(4-hexadecylsulfonylphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(4-hexadecylsulfonylphenyl)ethanamide
MOLECULAR FORMULA: C24H40ClNO3S
MOLECULAR WEIGHT: 458.0973
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCl
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Product OPENEYE NAME: 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CAS Name: 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
IUPAC NAME: 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
SYSTEMATIC NAME: 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
MOLECULAR FORMULA: C14H8F6
MOLECULAR WEIGHT: 290.203739
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F
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Product OPENEYE NAME: 1,1-diphenylpentan-3-one
CAS Name: 1,1-diphenyl-3-pentanone
IUPAC NAME: 1,1-diphenylpentan-3-one
SYSTEMATIC NAME: 1,1-diphenylpentan-3-one
MOLECULAR FORMULA: C17H18O
MOLECULAR WEIGHT: 238.32422
SMILES: CCC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: N-[4-[[(4-acetylimino-3-nitro-cyclohexa-2,5-dien-1-ylidene)amino]-hydroxy-amino]-2-nitro-phenyl]acetamide
CAS Name: N-[4-[[(4-acetylimino-3-nitro-1-cyclohexa-2,5-dienylidene)amino]-hydroxyamino]-2-nitrophenyl]acetamide
IUPAC NAME: N-[4-[[(4-acetylimino-3-nitrocyclohexa-2,5-dien-1-ylidene)amino]-hydroxyamino]-2-nitrophenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(4-ethanoylimino-3-nitro-cyclohexa-2,5-dien-1-ylidene)amino]-oxidanyl-amino]-2-nitro-phenyl]ethanamide
MOLECULAR FORMULA: C16H14N6O7
MOLECULAR WEIGHT: 402.31836
SMILES: CC(=O)NC1=C(C=C(C=C1)N(N=C2C=CC(=NC(=O)C)C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2-chloro-4-methoxy-phenyl)-4-nitro-benzamide
CAS Name: N-(2-chloro-4-methoxyphenyl)-4-nitrobenzamide
IUPAC NAME: N-(2-chloro-4-methoxyphenyl)-4-nitrobenzamide
SYSTEMATIC NAME: N-(2-chloranyl-4-methoxy-phenyl)-4-nitro-benzamide
MOLECULAR FORMULA: C14H11ClN2O4
MOLECULAR WEIGHT: 306.70114
SMILES: COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: benzyl 2-chloro-2-phenyl-acetate
CAS Name: 2-chloro-2-phenylacetic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-chloro-2-phenylacetate
SYSTEMATIC NAME: (phenylmethyl) 2-chloranyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C15H13ClO2
MOLECULAR WEIGHT: 260.71552
SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)Cl
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Product OPENEYE NAME: 3-(2-methoxy-4,6-dimethyl-phenyl)-2,3-diphenyl-prop-2-enoic acid
CAS Name: 3-(2-methoxy-4,6-dimethylphenyl)-2,3-diphenyl-2-propenoic acid
IUPAC NAME: 3-(2-methoxy-4,6-dimethylphenyl)-2,3-diphenylprop-2-enoic acid
SYSTEMATIC NAME: 3-(2-methoxy-4,6-dimethyl-phenyl)-2,3-diphenyl-prop-2-enoic acid
MOLECULAR FORMULA: C24H22O3
MOLECULAR WEIGHT: 358.42968
SMILES: CC1=CC(=C(C(=C1)OC)C(=C(C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2,3-dibromo-N-(2-methoxy-3-nitro-phenyl)-3-phenyl-propanamide
CAS Name: 2,3-dibromo-N-(2-methoxy-3-nitrophenyl)-3-phenylpropanamide
IUPAC NAME: 2,3-dibromo-N-(2-methoxy-3-nitrophenyl)-3-phenylpropanamide
SYSTEMATIC NAME: 2,3-bis(bromanyl)-N-(2-methoxy-3-nitro-phenyl)-3-phenyl-propanamide
MOLECULAR FORMULA: C16H14Br2N2O4
MOLECULAR WEIGHT: 458.10136
SMILES: COC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C(C2=CC=CC=C2)Br)Br
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Product OPENEYE NAME: 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)imidazo[2,1-a]isoquinolin-3-yl]prop-2-en-1-one
CAS Name: 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)-3-imidazo[2,1-a]isoquinolinyl]-2-propen-1-one
IUPAC NAME: 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)imidazo[2,1-a]isoquinolin-3-yl]prop-2-en-1-one
SYSTEMATIC NAME: 3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)imidazo[2,1-a]isoquinolin-3-yl]prop-2-en-1-one
MOLECULAR FORMULA: C27H19FN2O2
MOLECULAR WEIGHT: 422.450363
SMILES: COC1=CC=C(C=C1)C2=C(N3C=CC4=CC=CC=C4C3=N2)C(=O)C=CC5=CC=CC=C5F
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Product OPENEYE NAME: 7-methyl-2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
CAS Name: 7-methyl-2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
IUPAC NAME: 7-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 7-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C25H29N3O2S2
MOLECULAR WEIGHT: 467.64666
SMILES: CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N4CCCCC4C)C5=CC=CC=C5
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Product OPENEYE NAME: 6'-amino-6-hydroxy-spiro[9aH-xanthene-9,3'-isobenzofuran]-1',3-dione
CAS Name: 6'-amino-6-hydroxyspiro[9aH-xanthene-9,3'-isobenzofuran]-1',3-dione
IUPAC NAME: 6-amino-6'-hydroxyspiro[2-benzofuran-3,9'-9aH-xanthene]-1,3'-dione
SYSTEMATIC NAME: 6-azanyl-6'-oxidanyl-spiro[2-benzofuran-3,9'-9aH-xanthene]-1,3'-dione
MOLECULAR FORMULA: C20H13NO5
MOLECULAR WEIGHT: 347.32092
SMILES: C1=CC(=O)C=C2C1C3(C4=C(C=C(C=C4)N)C(=O)O3)C5=C(O2)C=C(C=C5)O
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