Sunday, August 14, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-chloro-N-ethyl-N-(2-naphthylmethyl)ethanamine
CAS Name: 2-chloro-N-ethyl-N-(2-naphthalenylmethyl)ethanamine
IUPAC NAME: 2-chloro-N-ethyl-N-(naphthalen-2-ylmethyl)ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-ethyl-N-(naphthalen-2-ylmethyl)ethanamine
MOLECULAR FORMULA: C15H18ClN
MOLECULAR WEIGHT: 247.76312
SMILES: CCN(CCCl)CC1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 1-(diaminomethylene)-2-(2-naphthyl)guanidine
CAS Name: 1-(diaminomethylidene)-2-(2-naphthalenyl)guanidine
IUPAC NAME: 1-(diaminomethylidene)-2-naphthalen-2-ylguanidine
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-naphthalen-2-yl-guanidine
MOLECULAR FORMULA: C12H13N5
MOLECULAR WEIGHT: 227.26512
SMILES: C1=CC=C2C=C(C=CC2=C1)N=C(N)N=C(N)N
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Product OPENEYE NAME: 5-benzyloxy-1H-indole
CAS Name: 5-phenylmethoxy-1H-indole
IUPAC NAME: 5-phenylmethoxy-1H-indole
SYSTEMATIC NAME: 5-phenylmethoxy-1H-indole
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3
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Product OPENEYE NAME: dimethyl-[2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]ammonium chloride
CAS Name: dimethyl-[1-oxo-2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propyl]ammonium chloride
IUPAC NAME: dimethyl-[2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]azanium chloride
MOLECULAR FORMULA: C15H29ClN2O
MOLECULAR WEIGHT: 288.85656
SMILES: CC(C(=O)[NH+](C)C)N1CC2CCC(C1)(C2(C)C)C.[Cl-]
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Product OPENEYE NAME: N,N-dimethyl-2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CAS Name: N,N-dimethyl-2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide
IUPAC NAME: N,N-dimethyl-2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SYSTEMATIC NAME: N,N-dimethyl-2-(5,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide
MOLECULAR FORMULA: C15H28N2O
MOLECULAR WEIGHT: 252.39562
SMILES: CC(C(=O)N(C)C)N1CC2CCC(C1)(C2(C)C)C
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Product OPENEYE NAME: 3-benzyl-5,8,8-trimethyl-3-azoniabicyclo[3.2.1]octane chloride
CAS Name: 5,8,8-trimethyl-3-(phenylmethyl)-3-azoniabicyclo[3.2.1]octane chloride
IUPAC NAME: 3-benzyl-5,8,8-trimethyl-3-azoniabicyclo[3.2.1]octane chloride
SYSTEMATIC NAME: 5,8,8-trimethyl-3-(phenylmethyl)-3-azoniabicyclo[3.2.1]octane chloride
MOLECULAR FORMULA: C17H26ClN
MOLECULAR WEIGHT: 279.84804
SMILES: CC1(C2CCC1(C[NH+](C2)CC3=CC=CC=C3)C)C.[Cl-]
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Product OPENEYE NAME: 3-benzyl-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CAS Name: 5,8,8-trimethyl-3-(phenylmethyl)-3-azabicyclo[3.2.1]octane
IUPAC NAME: 3-benzyl-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 5,8,8-trimethyl-3-(phenylmethyl)-3-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C17H25N
MOLECULAR WEIGHT: 243.3871
SMILES: CC1(C2CCC1(CN(C2)CC3=CC=CC=C3)C)C
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Product OPENEYE NAME: 5-(2-bromoallyl)-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione
CAS Name: 5-(2-bromoprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-(2-bromoprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(2-bromanylprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H17BrN2O3
MOLECULAR WEIGHT: 317.17898
SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC(=C)Br
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Product OPENEYE NAME: (3aS,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
CAS Name: (3aS,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
IUPAC NAME: (3aS,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
SYSTEMATIC NAME: (3aS,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C
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Product OPENEYE NAME: 3-(2-piperidin-1-ium-1-ylethyl)-1,3-benzoxazol-2-one chloride
CAS Name: 3-[2-(1-piperidin-1-iumyl)ethyl]-1,3-benzoxazol-2-one chloride
IUPAC NAME: 3-(2-piperidin-1-ium-1-ylethyl)-1,3-benzoxazol-2-one chloride
SYSTEMATIC NAME: 3-(2-piperidin-1-ium-1-ylethyl)-1,3-benzoxazol-2-one chloride
MOLECULAR FORMULA: C14H19ClN2O2
MOLECULAR WEIGHT: 282.76586
SMILES: C1CC[NH+](CC1)CCN2C3=CC=CC=C3OC2=O.[Cl-]
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Product OPENEYE NAME: 3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one
CAS Name: 3-[2-(1-piperidinyl)ethyl]-1,3-benzoxazol-2-one
IUPAC NAME: 3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-(2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: C1CCN(CC1)CCN2C3=CC=CC=C3OC2=O
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