Wednesday, November 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: tert-butyl (2S,3R,4S)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
CAS Name: (2S,3R,4S)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S,3R,4S)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S,3R,4S)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H29F6NO4
MOLECULAR WEIGHT: 533.503179
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](CN([C@H]2CO)C(=O)OC(C)(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: morpholino 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-[1-(4-pyridyl)piperidine-4-carbonyl]amino]acetate
CAS Name: 2-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]acetic acid 4-morpholinyl ester
IUPAC NAME: morpholin-4-yl 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidine-4-carbonyl)amino]acetate
SYSTEMATIC NAME: morpholin-4-yl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoate
MOLECULAR FORMULA: C30H35ClN4O6S
MOLECULAR WEIGHT: 615.1401
SMILES: C1CN(CCC1C(=O)N(CCCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)ON4CCOCC4)C5=CC=NC=C5
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Product OPENEYE NAME: ethyl 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl-[1-(4-pyridyl)-4-piperidyl]amino]acetate
CAS Name: 2-[[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-(1-pyridin-4-yl-4-piperidinyl)amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]acetate
SYSTEMATIC NAME: ethyl 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]ethanoate
MOLECULAR FORMULA: C27H30ClN3O5S
MOLECULAR WEIGHT: 544.0622
SMILES: CCOC(=O)CN(C1CCN(CC1)C2=CC=NC=C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl
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Product OPENEYE NAME: 1,3-bis[(3,4-dichlorophenyl)methyl]-2-(2-furyl)imidazolidine
CAS Name: 1,3-bis[(3,4-dichlorophenyl)methyl]-2-(2-furanyl)imidazolidine
IUPAC NAME: 1,3-bis[(3,4-dichlorophenyl)methyl]-2-(furan-2-yl)imidazolidine
SYSTEMATIC NAME: 1,3-bis[(3,4-dichlorophenyl)methyl]-2-(furan-2-yl)imidazolidine
MOLECULAR FORMULA: C21H18Cl4N2O
MOLECULAR WEIGHT: 456.19242
SMILES: C1CN(C(N1CC2=CC(=C(C=C2)Cl)Cl)C3=CC=CO3)CC4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C15H18N2O5
MOLECULAR WEIGHT: 306.31382
SMILES: COC1C2CCN(C3=CC(=C(C(=C23)N1C=O)OC)OC)C=O
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Product OPENEYE NAME: 4-(phenyliminomethyl)benzenesulfonamide
CAS Name: 4-(phenyliminomethyl)benzenesulfonamide
IUPAC NAME: 4-(phenyliminomethyl)benzenesulfonamide
SYSTEMATIC NAME: 4-(phenyliminomethyl)benzenesulfonamide
MOLECULAR FORMULA: C13H12N2O2S
MOLECULAR WEIGHT: 260.31158
SMILES: C1=CC=C(C=C1)N=CC2=CC=C(C=C2)S(=O)(=O)N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C25H18N6O2S
MOLECULAR WEIGHT: 466.51442
SMILES: C1=CC=C(C=C1)C2=CN(C3=C2C4=NC(=NN4C=N3)C5=CC=CC=C5)C6=CC=C(C=C6)S(=O)(=O)N
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Product OPENEYE NAME: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC NAME: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]-3-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C19H21ClN2O2S
MOLECULAR WEIGHT: 376.90024
SMILES: CC1CC2=CC(=C(C=C2CN1C(=S)NCCC3=CC=C(C=C3)Cl)O)O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C21H15N7O2S
MOLECULAR WEIGHT: 429.4545
SMILES: C1=CC=C(C=C1)C2=CN(C3=C2C4=NC(=NN4C=N3)CC#N)C5=CC=C(C=C5)S(=O)(=O)N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C19H14N6O2S2
MOLECULAR WEIGHT: 422.48346
SMILES: C1=CC=C(C=C1)C2=CN(C3=C2C4=NC(=S)NN4C=N3)C5=CC=C(C=C5)S(=O)(=O)N
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