Wednesday, August 7, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[4-chloro-2-(2-chlorophenyl)phenyl]-5-ethyl-1H-pyrrole-3-carbonitrile; dichloromethane
CAS Name: 4-[4-chloro-2-(2-chlorophenyl)phenyl]-5-ethyl-1H-pyrrole-3-carbonitrile; dichloromethane
IUPAC NAME: 4-[4-chloro-2-(2-chlorophenyl)phenyl]-5-ethyl-1H-pyrrole-3-carbonitrile; dichloromethane
SYSTEMATIC NAME: bis(chloranyl)methane; 4-[4-chloranyl-2-(2-chlorophenyl)phenyl]-5-ethyl-1H-pyrrole-3-carbonitrile
MOLECULAR FORMULA: C20H16Cl4N2
MOLECULAR WEIGHT: 426.16644
SMILES: CCC1=C(C(=CN1)C#N)C2=C(C=C(C=C2)Cl)C3=CC=CC=C3Cl.C(Cl)Cl
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Product OPENEYE NAME: 2-[8-chloro-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
CAS Name: 2-[8-chloro-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
IUPAC NAME: 2-[8-chloro-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
SYSTEMATIC NAME: 2-[8-chloranyl-6-(2-chlorophenyl)-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]ethanoic acid
MOLECULAR FORMULA: C20H14Cl2N2O2
MOLECULAR WEIGHT: 385.24336
SMILES: C1C2=CN(C=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CC(=O)O
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Product OPENEYE NAME: 8-chloro-6-(2-fluorophenyl)-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; ethyl acetate
CAS Name: acetic acid ethyl ester; 8-chloro-6-(2-fluorophenyl)-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one
IUPAC NAME: 8-chloro-6-(2-fluorophenyl)-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; ethyl acetate
SYSTEMATIC NAME: 8-chloranyl-6-(2-fluorophenyl)-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; ethyl ethanoate
MOLECULAR FORMULA: C22H20ClFN2O3
MOLECULAR WEIGHT: 414.857203
SMILES: CCOC(=O)C.C1C2=C(CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)C(=O)N1
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-3-hydroxy-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; ethoxyethane
CAS Name: 8-chloro-6-(2-chlorophenyl)-3-hydroxy-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; ethoxyethane
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-3-hydroxy-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; ethoxyethane
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-3-oxidanyl-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; ethoxyethane
MOLECULAR FORMULA: C22H22Cl2N2O3
MOLECULAR WEIGHT: 433.32768
SMILES: CCOCC.C1C2=C(C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)C(=O)NC2O
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-2-(2-hydroxyethyl)-1-methyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
CAS Name: 8-chloro-6-(2-chlorophenyl)-2-(2-hydroxyethyl)-1-methyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-2-(2-hydroxyethyl)-1-methyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-2-(2-hydroxyethyl)-1-methyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
MOLECULAR FORMULA: C25H28Cl2N2O3
MOLECULAR WEIGHT: 475.40742
SMILES: CCOCC.CC1C2=C(CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl)C(=O)N1CCO
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-3-methoxy-4,5-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
CAS Name: 8-chloro-6-(2-chlorophenyl)-3-methoxy-4,5-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-3-methoxy-4,5-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-3-methoxy-4,5-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
MOLECULAR FORMULA: C19H14Cl2N2O2
MOLECULAR WEIGHT: 373.23266
SMILES: COC1=C2CNC(=C3C=C(C=CC3=C2C(=O)N1)Cl)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-1-hydroxy-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
CAS Name: 8-chloro-6-(2-chlorophenyl)-1-hydroxy-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-1-hydroxy-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-1-oxidanyl-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
MOLECULAR FORMULA: C22H22Cl2N2O3
MOLECULAR WEIGHT: 433.32768
SMILES: CCOCC.C1C2=C(C(NC2=O)O)C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 1-(1-isocyanopropylsulfonyl)-4-methyl-benzene
CAS Name: 1-(1-isocyanopropylsulfonyl)-4-methylbenzene
IUPAC NAME: 1-(1-isocyanopropylsulfonyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(1-isocyanopropylsulfonyl)-4-methyl-benzene
MOLECULAR FORMULA: C11H13NO2S
MOLECULAR WEIGHT: 223.29142
SMILES: CCC([N+]#[C-])S(=O)(=O)C1=CC=C(C=C1)C
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Product OPENEYE NAME: 8-chloro-6-(2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; ethyl acetate
CAS Name: acetic acid ethyl ester; 8-chloro-6-(2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
IUPAC NAME: 8-chloro-6-(2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; ethyl acetate
SYSTEMATIC NAME: 8-chloranyl-6-(2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; ethyl ethanoate
MOLECULAR FORMULA: C22H20ClFN2O3
MOLECULAR WEIGHT: 414.857203
SMILES: CCOC(=O)C.C1C2=C(C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F)C(=O)N1
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Product OPENEYE NAME: 2-[2-(2-methoxyethoxy)ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
CAS Name: 2-[2-(2-methoxyethoxy)ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
IUPAC NAME: 2-[2-(2-methoxyethoxy)ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
SYSTEMATIC NAME: 2-[2-(2-methoxyethoxy)ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
MOLECULAR FORMULA: C16H33NO8
MOLECULAR WEIGHT: 367.43512
SMILES: COCCOCCN1COCCOCCOCCOCCOCCO1
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Product OPENEYE NAME: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
CAS Name: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
IUPAC NAME: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
SYSTEMATIC NAME: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
MOLECULAR FORMULA: C16H33NO8
MOLECULAR WEIGHT: 367.43512
SMILES: COCCOCCOCCN1COCCOCCOCCOCCO1
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Product OPENEYE NAME: 2-[(2-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-2-azacyclododecane
CAS Name: 2-[(2-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-2-azacyclododecane
IUPAC NAME: 2-[(2-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-2-azacyclododecane
SYSTEMATIC NAME: 2-[(2-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-2-azacyclododecane
MOLECULAR FORMULA: C15H23NO5
MOLECULAR WEIGHT: 297.34682
SMILES: COC1=CC=CC=C1CN2COCCOCCOCCO2
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Product OPENEYE NAME: 2-allyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
CAS Name: 2-prop-2-enyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
IUPAC NAME: 2-prop-2-enyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
SYSTEMATIC NAME: 2-prop-2-enyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
MOLECULAR FORMULA: C14H27NO6
MOLECULAR WEIGHT: 305.36728
SMILES: C=CCN1COCCOCCOCCOCCOCCO1
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Product OPENEYE NAME: 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
CAS Name: 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
IUPAC NAME: 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
SYSTEMATIC NAME: 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1,4,7,10,13-pentaoxa-2-azacyclopentadecane
MOLECULAR FORMULA: C18H37NO9
MOLECULAR WEIGHT: 411.48768
SMILES: COCCOCCOCCOCCN1COCCOCCOCCOCCO1
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Product OPENEYE NAME: 1-(1,4,7,10,13,16-hexaoxa-2-azacyclooctadec-2-yl)propan-2-ol
CAS Name: 1-(1,4,7,10,13,16-hexaoxa-2-azacyclooctadec-2-yl)-2-propanol
IUPAC NAME: 1-(1,4,7,10,13,16-hexaoxa-2-azacyclooctadec-2-yl)propan-2-ol
SYSTEMATIC NAME: 1-(1,4,7,10,13,16-hexaoxa-2-azacyclooctadec-2-yl)propan-2-ol
MOLECULAR FORMULA: C14H29NO7
MOLECULAR WEIGHT: 323.38256
SMILES: CC(CN1COCCOCCOCCOCCOCCO1)O
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Product OPENEYE NAME: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
CAS Name: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
IUPAC NAME: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
SYSTEMATIC NAME: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
MOLECULAR FORMULA: C18H37NO9
MOLECULAR WEIGHT: 411.48768
SMILES: COCCOCCOCCN1COCCOCCOCCOCCOCCO1
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Product OPENEYE NAME: 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
CAS Name: 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
IUPAC NAME: 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
SYSTEMATIC NAME: 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
MOLECULAR FORMULA: C20H41NO10
MOLECULAR WEIGHT: 455.54024
SMILES: COCCOCCOCCOCCN1COCCOCCOCCOCCOCCO1
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Product OPENEYE NAME: 2-(2-methoxyethyl)-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
CAS Name: 2-(2-methoxyethyl)-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
IUPAC NAME: 2-(2-methoxyethyl)-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
SYSTEMATIC NAME: 2-(2-methoxyethyl)-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
MOLECULAR FORMULA: C14H29NO7
MOLECULAR WEIGHT: 323.38256
SMILES: COCCN1COCCOCCOCCOCCOCCO1
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Product OPENEYE NAME: 2-(2-methoxyphenyl)-1,4,7,10-tetraoxa-2-azacyclododecane
CAS Name: 2-(2-methoxyphenyl)-1,4,7,10-tetraoxa-2-azacyclododecane
IUPAC NAME: 2-(2-methoxyphenyl)-1,4,7,10-tetraoxa-2-azacyclododecane
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-1,4,7,10-tetraoxa-2-azacyclododecane
MOLECULAR FORMULA: C14H21NO5
MOLECULAR WEIGHT: 283.32024
SMILES: COC1=CC=CC=C1N2COCCOCCOCCO2
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Product OPENEYE NAME: N,N-dimethyl-2-(1,4,7,10-tetraoxa-2-azacyclododec-2-yl)ethanamine
CAS Name: N,N-dimethyl-2-(1,4,7,10-tetraoxa-2-azacyclododec-2-yl)ethanamine
IUPAC NAME: N,N-dimethyl-2-(1,4,7,10-tetraoxa-2-azacyclododec-2-yl)ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-(1,4,7,10-tetraoxa-2-azacyclododec-2-yl)ethanamine
MOLECULAR FORMULA: C11H24N2O4
MOLECULAR WEIGHT: 248.31926
SMILES: CN(C)CCN1COCCOCCOCCO1
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Product OPENEYE NAME: 1-(2-methoxyethoxy)ethyl 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid 1-(2-methoxyethoxy)ethyl ester
IUPAC NAME: 1-(2-methoxyethoxy)ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 1-(2-methoxyethoxy)ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C12H18O5S
MOLECULAR WEIGHT: 274.33332
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(C)OCCOC
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Product OPENEYE NAME: 2-(2,4-dimethylphenyl)-3-(2-methoxyethoxy)-5,5-dimethyl-cyclohex-2-en-1-one
CAS Name: 2-(2,4-dimethylphenyl)-3-(2-methoxyethoxy)-5,5-dimethyl-1-cyclohex-2-enone
IUPAC NAME: 2-(2,4-dimethylphenyl)-3-(2-methoxyethoxy)-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)-3-(2-methoxyethoxy)-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OCCOC)C
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Product OPENEYE NAME: 2-(2,4-dimethylphenyl)-3-octoxycarbothioyloxy-cyclopent-2-en-1-one
CAS Name: 2-(2,4-dimethylphenyl)-3-[octoxy(sulfanylidene)methoxy]-1-cyclopent-2-enone
IUPAC NAME: 2-(2,4-dimethylphenyl)-3-octoxycarbothioyloxycyclopent-2-en-1-one
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)-3-octoxycarbothioyloxy-cyclopent-2-en-1-one
MOLECULAR FORMULA: C22H30O3S
MOLECULAR WEIGHT: 374.5368
SMILES: CCCCCCCCOC(=S)OC1=C(C(=O)CC1)C2=C(C=C(C=C2)C)C
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Product OPENEYE NAME: 3-(cyclohexoxycarbothioyloxy)-2-(2,4-dimethylphenyl)-5,5-dimethyl-cyclohex-2-en-1-one
CAS Name: 3-[cyclohexyloxy(sulfanylidene)methoxy]-2-(2,4-dimethylphenyl)-5,5-dimethyl-1-cyclohex-2-enone
IUPAC NAME: 3-cyclohexyloxycarbothioyloxy-2-(2,4-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-cyclohexyloxycarbothioyloxy-2-(2,4-dimethylphenyl)-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C23H30O3S
MOLECULAR WEIGHT: 386.5475
SMILES: CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=S)OC3CCCCC3)C
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