Wednesday, September 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-chloro-3,5-dimethyl-phenoxy)-4-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)butan-2-ol
CAS Name: 1-(4-chloro-3,5-dimethylphenoxy)-4-(1-piperazinyl)-4-(3,4,5-trimethoxyphenyl)-2-butanol
IUPAC NAME: 1-(4-chloro-3,5-dimethylphenoxy)-4-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)butan-2-ol
SYSTEMATIC NAME: 1-(4-chloranyl-3,5-dimethyl-phenoxy)-4-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)butan-2-ol
MOLECULAR FORMULA: C25H35ClN2O5
MOLECULAR WEIGHT: 479.0088
SMILES: CC1=CC(=CC(=C1Cl)C)OCC(CC(C2=CC(=C(C(=C2)OC)OC)OC)N3CCNCC3)O
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Product OPENEYE NAME: 4-benzyl-2-piperazin-1-yl-aniline dihydrochloride
CAS Name: 4-(phenylmethyl)-2-(1-piperazinyl)aniline dihydrochloride
IUPAC NAME: 4-benzyl-2-piperazin-1-ylaniline dihydrochloride
SYSTEMATIC NAME: 4-(phenylmethyl)-2-piperazin-1-yl-aniline dihydrochloride
MOLECULAR FORMULA: C17H23Cl2N3
MOLECULAR WEIGHT: 340.29062
SMILES: C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)N.Cl.Cl
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Product OPENEYE NAME: 4-benzyl-2-piperazin-1-yl-aniline
CAS Name: 4-(phenylmethyl)-2-(1-piperazinyl)aniline
IUPAC NAME: 4-benzyl-2-piperazin-1-ylaniline
SYSTEMATIC NAME: 4-(phenylmethyl)-2-piperazin-1-yl-aniline
MOLECULAR FORMULA: C17H21N3
MOLECULAR WEIGHT: 267.36874
SMILES: C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)N
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Product OPENEYE NAME: 1-[3-(1-naphthyloxy)piperazin-1-yl]propan-2-ol
CAS Name: 1-[3-(1-naphthalenyloxy)-1-piperazinyl]-2-propanol
IUPAC NAME: 1-(3-naphthalen-1-yloxypiperazin-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(3-naphthalen-1-yloxypiperazin-1-yl)propan-2-ol
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: CC(CN1CCNC(C1)OC2=CC=CC3=CC=CC=C32)O
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Product OPENEYE NAME: butan-2-ol hydrate hydrochloride
CAS Name: 2-butanol hydrate hydrochloride
IUPAC NAME: butan-2-ol hydrate hydrochloride
SYSTEMATIC NAME: butan-2-ol hydrate hydrochloride
MOLECULAR FORMULA: C4H13ClO2
MOLECULAR WEIGHT: 128.59782
SMILES: CCC(C)O.O.Cl
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Product OPENEYE NAME: butan-2-ol dihydrochloride
CAS Name: 2-butanol dihydrochloride
IUPAC NAME: butan-2-ol dihydrochloride
SYSTEMATIC NAME: butan-2-ol dihydrochloride
MOLECULAR FORMULA: C4H12Cl2O
MOLECULAR WEIGHT: 147.04348
SMILES: CCC(C)O.Cl.Cl
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Product OPENEYE NAME: 1-(4-chloro-3-methyl-phenoxy)-4-piperazin-1-yl-4-(4-pyridyl)butan-2-ol dihydrochloride
CAS Name: 1-(4-chloro-3-methylphenoxy)-4-(1-piperazinyl)-4-pyridin-4-yl-2-butanol dihydrochloride
IUPAC NAME: 1-(4-chloro-3-methylphenoxy)-4-piperazin-1-yl-4-pyridin-4-ylbutan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-(4-chloranyl-3-methyl-phenoxy)-4-piperazin-1-yl-4-pyridin-4-yl-butan-2-ol dihydrochloride
MOLECULAR FORMULA: C20H28Cl3N3O2
MOLECULAR WEIGHT: 448.81422
SMILES: CC1=C(C=CC(=C1)OCC(CC(C2=CC=NC=C2)N3CCNCC3)O)Cl.Cl.Cl
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Product OPENEYE NAME: 1-(4-chloro-3-methyl-phenoxy)-4-piperazin-1-yl-4-(4-pyridyl)butan-2-ol
CAS Name: 1-(4-chloro-3-methylphenoxy)-4-(1-piperazinyl)-4-pyridin-4-yl-2-butanol
IUPAC NAME: 1-(4-chloro-3-methylphenoxy)-4-piperazin-1-yl-4-pyridin-4-ylbutan-2-ol
SYSTEMATIC NAME: 1-(4-chloranyl-3-methyl-phenoxy)-4-piperazin-1-yl-4-pyridin-4-yl-butan-2-ol
MOLECULAR FORMULA: C20H26ClN3O2
MOLECULAR WEIGHT: 375.89234
SMILES: CC1=C(C=CC(=C1)OCC(CC(C2=CC=NC=C2)N3CCNCC3)O)Cl
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Product OPENEYE NAME: 4-(2-benzylpiperazin-1-yl)aniline
CAS Name: 4-[2-(phenylmethyl)-1-piperazinyl]aniline
IUPAC NAME: 4-(2-benzylpiperazin-1-yl)aniline
SYSTEMATIC NAME: 4-[2-(phenylmethyl)piperazin-1-yl]aniline
MOLECULAR FORMULA: C17H21N3
MOLECULAR WEIGHT: 267.36874
SMILES: C1CN(C(CN1)CC2=CC=CC=C2)C3=CC=C(C=C3)N
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Product OPENEYE NAME: 1-(4-chloro-3-methyl-phenoxy)-4-piperazin-1-yl-4-(3-pyridyl)butan-2-ol dihydrochloride
CAS Name: 1-(4-chloro-3-methylphenoxy)-4-(1-piperazinyl)-4-(3-pyridinyl)-2-butanol dihydrochloride
IUPAC NAME: 1-(4-chloro-3-methylphenoxy)-4-piperazin-1-yl-4-pyridin-3-ylbutan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-(4-chloranyl-3-methyl-phenoxy)-4-piperazin-1-yl-4-pyridin-3-yl-butan-2-ol dihydrochloride
MOLECULAR FORMULA: C20H28Cl3N3O2
MOLECULAR WEIGHT: 448.81422
SMILES: CC1=C(C=CC(=C1)OCC(CC(C2=CN=CC=C2)N3CCNCC3)O)Cl.Cl.Cl
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Product OPENEYE NAME: 1-(4-chloro-3-methyl-phenoxy)-4-piperazin-1-yl-4-(3-pyridyl)butan-2-ol
CAS Name: 1-(4-chloro-3-methylphenoxy)-4-(1-piperazinyl)-4-(3-pyridinyl)-2-butanol
IUPAC NAME: 1-(4-chloro-3-methylphenoxy)-4-piperazin-1-yl-4-pyridin-3-ylbutan-2-ol
SYSTEMATIC NAME: 1-(4-chloranyl-3-methyl-phenoxy)-4-piperazin-1-yl-4-pyridin-3-yl-butan-2-ol
MOLECULAR FORMULA: C20H26ClN3O2
MOLECULAR WEIGHT: 375.89234
SMILES: CC1=C(C=CC(=C1)OCC(CC(C2=CN=CC=C2)N3CCNCC3)O)Cl
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Product OPENEYE NAME: 4-(3-hydroxy-4-phenoxy-1-piperazin-1-yl-butyl)benzonitrile
CAS Name: 4-[3-hydroxy-4-phenoxy-1-(1-piperazinyl)butyl]benzonitrile
IUPAC NAME: 4-(3-hydroxy-4-phenoxy-1-piperazin-1-ylbutyl)benzonitrile
SYSTEMATIC NAME: 4-(3-oxidanyl-4-phenoxy-1-piperazin-1-yl-butyl)benzenecarbonitrile
MOLECULAR FORMULA: C21H25N3O2
MOLECULAR WEIGHT: 351.4421
SMILES: C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C#N
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Product OPENEYE NAME: ethyl 4-[4-(4-chlorophenyl)-2-hydroxy-4-piperazin-1-yl-butoxy]benzoate
CAS Name: 4-[4-(4-chlorophenyl)-2-hydroxy-4-(1-piperazinyl)butoxy]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[4-(4-chlorophenyl)-2-hydroxy-4-piperazin-1-ylbutoxy]benzoate
SYSTEMATIC NAME: ethyl 4-[4-(4-chlorophenyl)-2-oxidanyl-4-piperazin-1-yl-butoxy]benzoate
MOLECULAR FORMULA: C23H29ClN2O4
MOLECULAR WEIGHT: 432.94036
SMILES: CCOC(=O)C1=CC=C(C=C1)OCC(CC(C2=CC=C(C=C2)Cl)N3CCNCC3)O
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Product OPENEYE NAME: 1-phenoxy-4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]butan-2-ol
CAS Name: 1-phenoxy-4-(1-piperazinyl)-4-[3-(trifluoromethyl)phenyl]-2-butanol
IUPAC NAME: 1-phenoxy-4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]butan-2-ol
SYSTEMATIC NAME: 1-phenoxy-4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]butan-2-ol
MOLECULAR FORMULA: C21H25F3N2O2
MOLECULAR WEIGHT: 394.43061
SMILES: C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)butan-2-ol
CAS Name: 1-(4-fluorophenyl)-2-butanol
IUPAC NAME: 1-(4-fluorophenyl)butan-2-ol
SYSTEMATIC NAME: 1-(4-fluorophenyl)butan-2-ol
MOLECULAR FORMULA: C10H13FO
MOLECULAR WEIGHT: 168.208023
SMILES: CCC(CC1=CC=C(C=C1)F)O
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