Sunday, July 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(3-iodo-2-pyridyl)piperazine dihydrochloride
CAS Name: 1-(3-iodo-2-pyridinyl)piperazine dihydrochloride
IUPAC NAME: 1-(3-iodopyridin-2-yl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-(3-iodanylpyridin-2-yl)piperazine dihydrochloride
MOLECULAR FORMULA: C9H14Cl2IN3
MOLECULAR WEIGHT: 362.03803
SMILES: C1CN(CCN1)C2=C(C=CC=N2)I.Cl.Cl
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Product OPENEYE NAME: 1-(3-ethyl-4-piperidyl)-3-(2-methoxy-4-quinolyl)propan-2-one
CAS Name: 1-(3-ethyl-4-piperidinyl)-3-(2-methoxy-4-quinolinyl)-2-propanone
IUPAC NAME: 1-(3-ethylpiperidin-4-yl)-3-(2-methoxyquinolin-4-yl)propan-2-one
SYSTEMATIC NAME: 1-(3-ethylpiperidin-4-yl)-3-(2-methoxyquinolin-4-yl)propan-2-one
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CCC1CNCCC1CC(=O)CC2=CC(=NC3=CC=CC=C32)OC
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Product OPENEYE NAME: 1-(3-ethyl-1-propyl-4-piperidyl)-3-[2-(trifluoromethyl)-4-quinolyl]propan-2-ol
CAS Name: 1-(3-ethyl-1-propyl-4-piperidinyl)-3-[2-(trifluoromethyl)-4-quinolinyl]-2-propanol
IUPAC NAME: 1-(3-ethyl-1-propylpiperidin-4-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-ol
SYSTEMATIC NAME: 1-(3-ethyl-1-propyl-piperidin-4-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-ol
MOLECULAR FORMULA: C23H31F3N2O
MOLECULAR WEIGHT: 408.50025
SMILES: CCCN1CCC(C(C1)CC)CC(CC2=CC(=NC3=CC=CC=C32)C(F)(F)F)O
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Product OPENEYE NAME: 1-(3-ethyl-3-piperidyl)-3-[2-(trifluoromethyl)-4-quinolyl]propan-2-one
CAS Name: 1-(3-ethyl-3-piperidinyl)-3-[2-(trifluoromethyl)-4-quinolinyl]-2-propanone
IUPAC NAME: 1-(3-ethylpiperidin-3-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-one
SYSTEMATIC NAME: 1-(3-ethylpiperidin-3-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-one
MOLECULAR FORMULA: C20H23F3N2O
MOLECULAR WEIGHT: 364.40463
SMILES: CCC1(CCCNC1)CC(=O)CC2=CC(=NC3=CC=CC=C32)C(F)(F)F
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Product OPENEYE NAME: 1-(3-ethyl-4-piperidyl)-3-[2-(trifluoromethyl)-4-quinolyl]propan-2-one
CAS Name: 1-(3-ethyl-4-piperidinyl)-3-[2-(trifluoromethyl)-4-quinolinyl]-2-propanone
IUPAC NAME: 1-(3-ethylpiperidin-4-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-one
SYSTEMATIC NAME: 1-(3-ethylpiperidin-4-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-one
MOLECULAR FORMULA: C20H23F3N2O
MOLECULAR WEIGHT: 364.40463
SMILES: CCC1CNCCC1CC(=O)CC2=CC(=NC3=CC=CC=C32)C(F)(F)F
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Product OPENEYE NAME: 4-[3-(3-ethyl-4-piperidyl)-2-oxo-propyl]-1H-quinolin-2-one
CAS Name: 4-[3-(3-ethyl-4-piperidinyl)-2-oxopropyl]-1H-quinolin-2-one
IUPAC NAME: 4-[3-(3-ethylpiperidin-4-yl)-2-oxopropyl]-1H-quinolin-2-one
SYSTEMATIC NAME: 4-[3-(3-ethylpiperidin-4-yl)-2-oxidanylidene-propyl]-1H-quinolin-2-one
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: CCC1CNCCC1CC(=O)CC2=CC(=O)NC3=CC=CC=C32
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Product OPENEYE NAME: 2-[(3-ethyl-1-propyl-4-piperidyl)methyl]-3-iodo-1-[2-(trifluoromethyl)-4-quinolyl]propan-1-ol
CAS Name: 2-[(3-ethyl-1-propyl-4-piperidinyl)methyl]-3-iodo-1-[2-(trifluoromethyl)-4-quinolinyl]-1-propanol
IUPAC NAME: 2-[(3-ethyl-1-propylpiperidin-4-yl)methyl]-3-iodo-1-[2-(trifluoromethyl)quinolin-4-yl]propan-1-ol
SYSTEMATIC NAME: 2-[(3-ethyl-1-propyl-piperidin-4-yl)methyl]-3-iodanyl-1-[2-(trifluoromethyl)quinolin-4-yl]propan-1-ol
MOLECULAR FORMULA: C24H32F3IN2O
MOLECULAR WEIGHT: 548.42336
SMILES: CCCN1CCC(C(C1)CC)CC(CI)C(C2=CC(=NC3=CC=CC=C32)C(F)(F)F)O
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Product OPENEYE NAME: 1-(3-ethyl-4-piperidyl)-3-[2-(trifluoromethyl)-4-quinolyl]propan-2-ol
CAS Name: 1-(3-ethyl-4-piperidinyl)-3-[2-(trifluoromethyl)-4-quinolinyl]-2-propanol
IUPAC NAME: 1-(3-ethylpiperidin-4-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-ol
SYSTEMATIC NAME: 1-(3-ethylpiperidin-4-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-ol
MOLECULAR FORMULA: C20H25F3N2O
MOLECULAR WEIGHT: 366.42051
SMILES: CCC1CNCCC1CC(CC2=CC(=NC3=CC=CC=C32)C(F)(F)F)O
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Product OPENEYE NAME: 1-(1-piperidyl)-3-[2-(trifluoromethyl)-4-quinolyl]propan-2-one
CAS Name: 1-(1-piperidinyl)-3-[2-(trifluoromethyl)-4-quinolinyl]-2-propanone
IUPAC NAME: 1-piperidin-1-yl-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-one
SYSTEMATIC NAME: 1-piperidin-1-yl-3-[2-(trifluoromethyl)quinolin-4-yl]propan-2-one
MOLECULAR FORMULA: C18H19F3N2O
MOLECULAR WEIGHT: 336.35147
SMILES: C1CCN(CC1)CC(=O)CC2=CC(=NC3=CC=CC=C32)C(F)(F)F
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Product OPENEYE NAME: 1-(1-benzoyl-3-ethyl-4-piperidyl)ethanone
CAS Name: 1-(1-benzoyl-3-ethyl-4-piperidinyl)ethanone
IUPAC NAME: 1-(1-benzoyl-3-ethylpiperidin-4-yl)ethanone
SYSTEMATIC NAME: 1-[3-ethyl-1-(phenylcarbonyl)piperidin-4-yl]ethanone
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CCC1CN(CCC1C(=O)C)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 3,4-dihydroisoquinoline hydrochloride
CAS Name: 3,4-dihydroisoquinoline hydrochloride
IUPAC NAME: 3,4-dihydroisoquinoline hydrochloride
SYSTEMATIC NAME: 3,4-dihydroisoquinoline hydrochloride
MOLECULAR FORMULA: C9H10ClN
MOLECULAR WEIGHT: 167.6354
SMILES: C1CN=CC2=CC=CC=C21.Cl
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Product OPENEYE NAME: cyclohexane; N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3,4-diisopropoxyphenyl)acetamide
CAS Name: cyclohexane; N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3,4-di(propan-2-yloxy)phenyl]acetamide
IUPAC NAME: cyclohexane; N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3,4-di(propan-2-yloxy)phenyl]acetamide
SYSTEMATIC NAME: cyclohexane; N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3,4-di(propan-2-yloxy)phenyl]ethanamide
MOLECULAR FORMULA: C32H49NO5
MOLECULAR WEIGHT: 527.73516
SMILES: CCOC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2)OC(C)C)OC(C)C)OCC.C1CCCCC1
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Product OPENEYE NAME: (3,4-dipropoxyphenyl) butanoate
CAS Name: butanoic acid (3,4-dipropoxyphenyl) ester
IUPAC NAME: (3,4-dipropoxyphenyl) butanoate
SYSTEMATIC NAME: (3,4-dipropoxyphenyl) butanoate
MOLECULAR FORMULA: C16H24O4
MOLECULAR WEIGHT: 280.35936
SMILES: CCCC(=O)OC1=CC(=C(C=C1)OCCC)OCCC
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Product OPENEYE NAME: 2-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine
CAS Name: 2-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine
IUPAC NAME: 2-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine
SYSTEMATIC NAME: 2-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine
MOLECULAR FORMULA: C16H26N6O
MOLECULAR WEIGHT: 318.41724
SMILES: C1CCN(C1)CC2=CC(=CC=C2)OCCCN3CN(C(=N3)N)N
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Product OPENEYE NAME: 6-[4-(4-chlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CAS Name: 6-[4-(4-chlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: 6-[4-(4-chlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 6-[4-(4-chlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C19H20ClNO3S
MOLECULAR WEIGHT: 377.885
SMILES: C1CC(=O)NC2=C1C=C(C=C2)OCCCCS(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine hydrochloride
CAS Name: 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine hydrochloride
IUPAC NAME: 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine hydrochloride
SYSTEMATIC NAME: 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine hydrochloride
MOLECULAR FORMULA: C20H26ClNO2
MOLECULAR WEIGHT: 347.87894
SMILES: CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3.Cl
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Product OPENEYE NAME: 2'-methoxyspiro[pyrrolidine-3,1'-tetralin]-2,5-dione
CAS Name: 3-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
IUPAC NAME: 3-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SYSTEMATIC NAME: 3-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: COC1CCC2=CC=CC=C2C13CC(=O)NC3=O
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Product OPENEYE NAME: 1-(3-amino-5-ethyl-phenyl)-2-hydroxy-ethanone
CAS Name: 1-(3-amino-5-ethylphenyl)-2-hydroxyethanone
IUPAC NAME: 1-(3-amino-5-ethylphenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(3-azanyl-5-ethyl-phenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CCC1=CC(=CC(=C1)C(=O)CO)N
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Product OPENEYE NAME: methyl 3-hydroxy-5-methyl-1H-tetrazole-2-carboxylate
CAS Name: 3-hydroxy-5-methyl-1H-tetrazole-2-carboxylic acid methyl ester
IUPAC NAME: methyl 3-hydroxy-5-methyl-1H-tetrazole-2-carboxylate
SYSTEMATIC NAME: methyl 5-methyl-3-oxidanyl-1H-1,2,3,4-tetrazole-2-carboxylate
MOLECULAR FORMULA: C4H8N4O3
MOLECULAR WEIGHT: 160.13132
SMILES: CC1=NN(N(N1)C(=O)OC)O
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Product OPENEYE NAME: 1-(3-amino-5-bromo-phenyl)-2-hydroxy-ethanone
CAS Name: 1-(3-amino-5-bromophenyl)-2-hydroxyethanone
IUPAC NAME: 1-(3-amino-5-bromophenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(3-azanyl-5-bromanyl-phenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C8H8BrNO2
MOLECULAR WEIGHT: 230.05862
SMILES: C1=C(C=C(C=C1N)Br)C(=O)CO
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Product OPENEYE NAME: 1-[(3-acetyl-5-ethyl-2-hydroxy-4-methoxy-phenyl)methyl]-N-phenyl-tetrazole-5-carboxamide
CAS Name: 1-[(3-acetyl-5-ethyl-2-hydroxy-4-methoxyphenyl)methyl]-N-phenyl-5-tetrazolecarboxamide
IUPAC NAME: 1-[(3-acetyl-5-ethyl-2-hydroxy-4-methoxyphenyl)methyl]-N-phenyltetrazole-5-carboxamide
SYSTEMATIC NAME: 1-[(3-ethanoyl-5-ethyl-4-methoxy-2-oxidanyl-phenyl)methyl]-N-phenyl-1,2,3,4-tetrazole-5-carboxamide
MOLECULAR FORMULA: C20H21N5O4
MOLECULAR WEIGHT: 395.41184
SMILES: CCC1=CC(=C(C(=C1OC)C(=O)C)O)CN2C(=NN=N2)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: N-(5-acetyl-3-amino-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2,3-dihydro-1H-tetrazole-5-carboxamide hydrochloride
CAS Name: N-(5-acetyl-3-amino-6-oxo-1-cyclohexa-2,4-dienylidene)-2,3-dihydro-1H-tetrazole-5-carboxamide hydrochloride
IUPAC NAME: N-(5-acetyl-3-amino-6-oxocyclohexa-2,4-dien-1-ylidene)-2,3-dihydro-1H-tetrazole-5-carboxamide hydrochloride
SYSTEMATIC NAME: N-(3-azanyl-5-ethanoyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-2,3-dihydro-1H-1,2,3,4-tetrazole-5-carboxamide hydrochloride
MOLECULAR FORMULA: C10H11ClN6O3
MOLECULAR WEIGHT: 298.68574
SMILES: CC(=O)C1=CC(=CC(=NC(=O)C2=NNNN2)C1=O)N.Cl
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