Sunday, January 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperidin-4-ol
CAS Name: 1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-4-piperidinol
IUPAC NAME: 1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperidin-4-ol
MOLECULAR FORMULA: C16H25NO3
MOLECULAR WEIGHT: 279.3746
SMILES: CC1=CC(=CC(=C1)OCC(CN2CCC(CC2)O)O)C
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Product OPENEYE NAME: 1-[3-(4-fluorophenoxy)-2-hydroxy-propyl]piperidin-4-ol
CAS Name: 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-piperidinol
IUPAC NAME: 1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperidin-4-ol
MOLECULAR FORMULA: C14H20FNO3
MOLECULAR WEIGHT: 269.311903
SMILES: C1CN(CCC1O)CC(COC2=CC=C(C=C2)F)O
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Product OPENEYE NAME: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-hydroxy-propoxy]benzonitrile
CAS Name: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
IUPAC NAME: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
SYSTEMATIC NAME: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile
MOLECULAR FORMULA: C18H17N3O2S
MOLECULAR WEIGHT: 339.41148
SMILES: C1=CC=C2C(=C1)N=C(S2)CNCC(COC3=CC=C(C=C3)C#N)O
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Product OPENEYE NAME: 4-[3-(2-allylphenoxy)-2-hydroxy-propyl]piperazin-2-one
CAS Name: 4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-2-piperazinone
IUPAC NAME: 4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]piperazin-2-one
SYSTEMATIC NAME: 4-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperazin-2-one
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: C=CCC1=CC=CC=C1OCC(CN2CCNC(=O)C2)O
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Product OPENEYE NAME: 4-[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]piperazin-2-one
CAS Name: 4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-piperazinone
IUPAC NAME: 4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-2-one
SYSTEMATIC NAME: 4-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-2-one
MOLECULAR FORMULA: C15H22N2O3
MOLECULAR WEIGHT: 278.34678
SMILES: CC1=C(C(=CC=C1)C)OCC(CN2CCNC(=O)C2)O
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Product OPENEYE NAME: 4-[2-hydroxy-3-(2-naphthyloxy)propyl]piperazin-2-one
CAS Name: 4-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-2-piperazinone
IUPAC NAME: 4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-2-one
SYSTEMATIC NAME: 4-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)piperazin-2-one
MOLECULAR FORMULA: C17H20N2O3
MOLECULAR WEIGHT: 300.3523
SMILES: C1CN(CC(=O)N1)CC(COC2=CC3=CC=CC=C3C=C2)O
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Product OPENEYE NAME: 4-[3-[(2-fluorophenyl)methoxy]-2-hydroxy-propyl]piperazin-2-one
CAS Name: 4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-2-piperazinone
IUPAC NAME: 4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperazin-2-one
SYSTEMATIC NAME: 4-[3-[(2-fluorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-2-one
MOLECULAR FORMULA: C14H19FN2O3
MOLECULAR WEIGHT: 282.310663
SMILES: C1CN(CC(=O)N1)CC(COCC2=CC=CC=C2F)O
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Product OPENEYE NAME: 4-[3-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]-2-hydroxy-propyl]piperazin-2-one
CAS Name: 4-[3-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]-2-hydroxypropyl]-2-piperazinone
IUPAC NAME: 4-[3-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]-2-hydroxypropyl]piperazin-2-one
SYSTEMATIC NAME: 4-[3-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]-2-oxidanyl-propyl]piperazin-2-one
MOLECULAR FORMULA: C17H28N2O3
MOLECULAR WEIGHT: 308.41582
SMILES: CC1(C2CC=C(C1C2)COCC(CN3CCNC(=O)C3)O)C
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Product OPENEYE NAME: 4-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperazin-2-one
CAS Name: 4-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-piperazinone
IUPAC NAME: 4-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperazin-2-one
SYSTEMATIC NAME: 4-[3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]piperazin-2-one
MOLECULAR FORMULA: C15H22N2O4
MOLECULAR WEIGHT: 294.34618
SMILES: COC1=CC=C(C=C1)COCC(CN2CCNC(=O)C2)O
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Product OPENEYE NAME: 4-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxy-propyl]piperazin-2-one
CAS Name: 4-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-2-piperazinone
IUPAC NAME: 4-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperazin-2-one
SYSTEMATIC NAME: 4-[3-[1-(4-chlorophenyl)ethoxy]-2-oxidanyl-propyl]piperazin-2-one
MOLECULAR FORMULA: C15H21ClN2O3
MOLECULAR WEIGHT: 312.79184
SMILES: CC(C1=CC=C(C=C1)Cl)OCC(CN2CCNC(=O)C2)O
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Product OPENEYE NAME: 4-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]piperazin-2-one
CAS Name: 4-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-2-piperazinone
IUPAC NAME: 4-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]piperazin-2-one
SYSTEMATIC NAME: 4-[3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]piperazin-2-one
MOLECULAR FORMULA: C15H22N2O4
MOLECULAR WEIGHT: 294.34618
SMILES: CCOC1=CC=C(C=C1)OCC(CN2CCNC(=O)C2)O
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Product OPENEYE NAME: 4-[3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazin-2-one
CAS Name: 4-[3-(3-acetylphenoxy)-2-hydroxypropyl]-2-piperazinone
IUPAC NAME: 4-[3-(3-acetylphenoxy)-2-hydroxypropyl]piperazin-2-one
SYSTEMATIC NAME: 4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-2-one
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: CC(=O)C1=CC(=CC=C1)OCC(CN2CCNC(=O)C2)O
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Product OPENEYE NAME: 4-[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-2-one
CAS Name: 4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-2-piperazinone
IUPAC NAME: 4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-2-one
SYSTEMATIC NAME: 4-[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-2-one
MOLECULAR FORMULA: C15H22N2O3
MOLECULAR WEIGHT: 278.34678
SMILES: CC1=CC(=CC(=C1)OCC(CN2CCNC(=O)C2)O)C
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Product OPENEYE NAME: 1-[(2-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CAS Name: 1-[(2-methoxyphenyl)methoxy]-3-(4-methyl-1-piperazinyl)-2-propanol
IUPAC NAME: 1-[(2-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-[(2-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C16H26N2O3
MOLECULAR WEIGHT: 294.38924
SMILES: CN1CCN(CC1)CC(COCC2=CC=CC=C2OC)O
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Product OPENEYE NAME: 1-(4-ethoxyphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CAS Name: 1-(4-ethoxyphenoxy)-3-(4-methyl-1-piperazinyl)-2-propanol
IUPAC NAME: 1-(4-ethoxyphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(4-ethoxyphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C16H26N2O3
MOLECULAR WEIGHT: 294.38924
SMILES: CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)C)O
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Product OPENEYE NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CAS Name: 1-(2,6-dimethyl-4-morpholinyl)-3-[(2-fluorophenyl)methoxy]-2-propanol
IUPAC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
SYSTEMATIC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
MOLECULAR FORMULA: C16H24FNO3
MOLECULAR WEIGHT: 297.365063
SMILES: CC1CN(CC(O1)C)CC(COCC2=CC=CC=C2F)O
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Product OPENEYE NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CAS Name: 1-(2,6-dimethyl-4-morpholinyl)-3-[(2-methoxyphenyl)methoxy]-2-propanol
IUPAC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SYSTEMATIC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
MOLECULAR FORMULA: C17H27NO4
MOLECULAR WEIGHT: 309.40058
SMILES: CC1CN(CC(O1)C)CC(COCC2=CC=CC=C2OC)O
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Product OPENEYE NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CAS Name: 1-(2,6-dimethyl-4-morpholinyl)-3-[(3-methoxyphenyl)methoxy]-2-propanol
IUPAC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
SYSTEMATIC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
MOLECULAR FORMULA: C17H27NO4
MOLECULAR WEIGHT: 309.40058
SMILES: CC1CN(CC(O1)C)CC(COCC2=CC(=CC=C2)OC)O
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Product OPENEYE NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CAS Name: 1-(2,6-dimethyl-4-morpholinyl)-3-(4-ethoxyphenoxy)-2-propanol
IUPAC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxyphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxyphenoxy)propan-2-ol
MOLECULAR FORMULA: C17H27NO4
MOLECULAR WEIGHT: 309.40058
SMILES: CCOC1=CC=C(C=C1)OCC(CN2CC(OC(C2)C)C)O
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Product OPENEYE NAME: 1-(4-ethylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(2,3,6-trimethylphenoxy)-2-propanol
IUPAC NAME: 1-(4-ethylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(4-ethylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
MOLECULAR FORMULA: C18H30N2O2
MOLECULAR WEIGHT: 306.443
SMILES: CCN1CCN(CC1)CC(COC2=C(C=CC(=C2C)C)C)O
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Product OPENEYE NAME: 1-[(2-methoxyphenyl)methoxy]-3-pyrrolidin-1-yl-propan-2-ol
CAS Name: 1-[(2-methoxyphenyl)methoxy]-3-(1-pyrrolidinyl)-2-propanol
IUPAC NAME: 1-[(2-methoxyphenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-[(2-methoxyphenyl)methoxy]-3-pyrrolidin-1-yl-propan-2-ol
MOLECULAR FORMULA: C15H23NO3
MOLECULAR WEIGHT: 265.34802
SMILES: COC1=CC=CC=C1COCC(CN2CCCC2)O
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