Tuesday, October 25, 2011

http://ChemLookup.com Compounds




CAS RN: 38074-16-7
CAS Name: N-[3-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propanamide
OPENEYE Name: N-[3-[(E)-cinnamyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propanamide
IUPAC Name: N-[3-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propanamide
SYSTEMATIC NAME: N-[3-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propanamide
MOLECULAR FORMULA: C18H25N3O
MOLECULAR WEIGHT: 299.4106
SMILES: CCC(=O)NN1C2CCC1CN(C2)C/C=C/C3=CC=CC=C3
Structure:

CAS RN: 37967-99-0
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-(10-thieno[3,2-b][1]benzazepinyl)-1-propanamine
OPENEYE Name: N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-yl-propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-ylpropan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-3-thieno[3,2-b][1]benzazepin-10-yl-propan-1-amine
MOLECULAR FORMULA: C21H24N2O4S
MOLECULAR WEIGHT: 400.49126
SMILES: CN(C)CCCN1C2=C(C=CC3=CC=CC=C31)SC=C2.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 37967-95-6
CAS Name: (E)-2-butenedioic acid; 10-[3-(dimethylamino)propyl]-5H-thieno[3,2-b][1]benzazepin-4-one
OPENEYE Name: 10-[3-(dimethylamino)propyl]-5H-thieno[3,2-b][1]benzazepin-4-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 10-[3-(dimethylamino)propyl]-5H-thieno[3,2-b][1]benzazepin-4-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 10-[3-(dimethylamino)propyl]-5H-thieno[3,2-b][1]benzazepin-4-one
MOLECULAR FORMULA: C21H24N2O5S
MOLECULAR WEIGHT: 416.49066
SMILES: CN(C)CCCN1C2=C(C(=O)CC3=CC=CC=C31)SC=C2.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 37922-73-9
CAS Name: (E)-2-butenedioic acid; 1-phenyl-3-[2-(1-pyrrolidinyl)ethyl]-5H-2,3-benzodiazepin-4-one
OPENEYE Name: fumaric acid; 1-phenyl-3-(2-pyrrolidin-1-ylethyl)-5H-2,3-benzodiazepin-4-one
IUPAC Name: (E)-but-2-enedioic acid; 1-phenyl-3-(2-pyrrolidin-1-ylethyl)-5H-2,3-benzodiazepin-4-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-phenyl-3-(2-pyrrolidin-1-ylethyl)-5H-2,3-benzodiazepin-4-one
MOLECULAR FORMULA: C25H27N3O5
MOLECULAR WEIGHT: 449.49898
SMILES: C1CCN(C1)CCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 37922-68-2
CAS Name: (E)-2-butenedioic acid; 3-[2-(4-morpholinyl)ethyl]-1-phenyl-5H-2,3-benzodiazepin-4-one
OPENEYE Name: fumaric acid; 3-(2-morpholinoethyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
IUPAC Name: (E)-but-2-enedioic acid; 3-(2-morpholin-4-ylethyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-(2-morpholin-4-ylethyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
MOLECULAR FORMULA: C25H27N3O6
MOLECULAR WEIGHT: 465.49838
SMILES: C1COCCN1CCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 37922-66-0
CAS Name: (E)-2-butenedioic acid; 3-[3-(4-morpholinyl)propyl]-1-phenyl-5H-2,3-benzodiazepin-4-one
OPENEYE Name: fumaric acid; 3-(3-morpholinopropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
IUPAC Name: (E)-but-2-enedioic acid; 3-(3-morpholin-4-ylpropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-(3-morpholin-4-ylpropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
MOLECULAR FORMULA: C26H29N3O6
MOLECULAR WEIGHT: 479.52496
SMILES: C1COCCN1CCCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 37913-88-5
CAS Name: phosphoric acid [(E)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] diethyl ester
OPENEYE Name: [(E)-2-chloro-1-(3,4-dichlorophenyl)vinyl] diethyl phosphate
IUPAC Name: [(E)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] diethyl phosphate
SYSTEMATIC NAME: [(E)-2-chloranyl-1-(3,4-dichlorophenyl)ethenyl] diethyl phosphate
MOLECULAR FORMULA: C12H14Cl3O4P
MOLECULAR WEIGHT: 359.569921
SMILES: CCOP(=O)(OCC)O/C(=C/Cl)/C1=CC(=C(C=C1)Cl)Cl
Structure:

CAS RN: 37913-85-2
CAS Name: phosphoric acid [(E)-2-chloro-1-(2,3,4-trichlorophenyl)ethenyl] dimethyl ester
OPENEYE Name: [(E)-2-chloro-1-(2,3,4-trichlorophenyl)vinyl] dimethyl phosphate
IUPAC Name: [(E)-2-chloro-1-(2,3,4-trichlorophenyl)ethenyl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-2-chloranyl-1-[2,3,4-tris(chloranyl)phenyl]ethenyl] dimethyl phosphate
MOLECULAR FORMULA: C10H9Cl4O4P
MOLECULAR WEIGHT: 365.961821
SMILES: COP(=O)(OC)O/C(=C/Cl)/C1=C(C(=C(C=C1)Cl)Cl)Cl
Structure:

CAS RN: 37913-84-1
CAS Name: phosphoric acid [(E)-2-chloro-1-(5-chloro-2-nitrophenyl)ethenyl] dimethyl ester
OPENEYE Name: [(E)-2-chloro-1-(5-chloro-2-nitro-phenyl)vinyl] dimethyl phosphate
IUPAC Name: [(E)-2-chloro-1-(5-chloro-2-nitrophenyl)ethenyl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-2-chloranyl-1-(5-chloranyl-2-nitro-phenyl)ethenyl] dimethyl phosphate
MOLECULAR FORMULA: C10H10Cl2NO6P
MOLECULAR WEIGHT: 342.069261
SMILES: COP(=O)(OC)O/C(=C/Cl)/C1=C(C=CC(=C1)Cl)[N+](=O)[O-]
Structure:

CAS RN: 37913-81-8
CAS Name: phosphoric acid [(E)-2-chloro-1-(2,4-dibromophenyl)ethenyl] diethyl ester
OPENEYE Name: [(E)-2-chloro-1-(2,4-dibromophenyl)vinyl] diethyl phosphate
IUPAC Name: [(E)-2-chloro-1-(2,4-dibromophenyl)ethenyl] diethyl phosphate
SYSTEMATIC NAME: [(E)-1-[2,4-bis(bromanyl)phenyl]-2-chloranyl-ethenyl] diethyl phosphate
MOLECULAR FORMULA: C12H14Br2ClO4P
MOLECULAR WEIGHT: 448.471921
SMILES: CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Br)Br
Structure:

CAS RN: 37913-80-7
CAS Name: phosphoric acid [(E)-1-(2-bromo-4-chlorophenyl)-2-chloroethenyl] diethyl ester
OPENEYE Name: [(E)-1-(2-bromo-4-chloro-phenyl)-2-chloro-vinyl] diethyl phosphate
IUPAC Name: [(E)-1-(2-bromo-4-chlorophenyl)-2-chloroethenyl] diethyl phosphate
SYSTEMATIC NAME: [(E)-1-(2-bromanyl-4-chloranyl-phenyl)-2-chloranyl-ethenyl] diethyl phosphate
MOLECULAR FORMULA: C12H14BrCl2O4P
MOLECULAR WEIGHT: 404.020921
SMILES: CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Br
Structure:

CAS RN: 37751-45-4
CAS Name: (E)-2-butenedioic acid; 1-(phenylmethyl)-4-[[2-(phenylmethyl)phenyl]methyl]piperazine
OPENEYE Name: 1-benzyl-4-[(2-benzylphenyl)methyl]piperazine; fumaric acid
IUPAC Name: 1-benzyl-4-[(2-benzylphenyl)methyl]piperazine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(phenylmethyl)-4-[[2-(phenylmethyl)phenyl]methyl]piperazine
MOLECULAR FORMULA: C33H36N2O8
MOLECULAR WEIGHT: 588.64754
SMILES: C1N(CCN(C1)CC2=CC=CC=C2CC3=CC=CC=C3)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 37744-21-1
CAS Name: 5-fluoro-3-pyridinecarboxylic acid [(E)-4-[(5-fluoro-3-pyridinyl)-oxomethoxy]but-2-enyl] ester
OPENEYE Name: [(E)-4-(5-fluoropyridine-3-carbonyl)oxybut-2-enyl] 5-fluoropyridine-3-carboxylate
IUPAC Name: [(E)-4-(5-fluoropyridine-3-carbonyl)oxybut-2-enyl] 5-fluoropyridine-3-carboxylate
SYSTEMATIC NAME: [(E)-4-(5-fluoranylpyridin-3-yl)carbonyloxybut-2-enyl] 5-fluoranylpyridine-3-carboxylate
MOLECULAR FORMULA: C16H12F2N2O4
MOLECULAR WEIGHT: 334.274286
SMILES: C1=C(C=NC=C1F)C(=O)OC/C=C/COC(=O)C2=CC(=CN=C2)F
Structure:

CAS RN: 37733-65-6
CAS Name: 6-methoxy-2-[(E)-2-nitroethenyl]-3-phenylbenzofuran
OPENEYE Name: 6-methoxy-2-[(E)-2-nitrovinyl]-3-phenyl-benzofuran
IUPAC Name: 6-methoxy-2-[(E)-2-nitroethenyl]-3-phenyl-1-benzofuran
SYSTEMATIC NAME: 6-methoxy-2-[(E)-2-nitroethenyl]-3-phenyl-1-benzofuran
MOLECULAR FORMULA: C17H13NO4
MOLECULAR WEIGHT: 295.28942
SMILES: COC1=CC2=C(C=C1)C(=C(O2)/C=C/[N+](=O)[O-])C3=CC=CC=C3
Structure:

CAS RN: 37733-64-5
CAS Name: 6-methoxy-3-methyl-2-[(E)-2-nitroethenyl]benzofuran
OPENEYE Name: 6-methoxy-3-methyl-2-[(E)-2-nitrovinyl]benzofuran
IUPAC Name: 6-methoxy-3-methyl-2-[(E)-2-nitroethenyl]-1-benzofuran
SYSTEMATIC NAME: 6-methoxy-3-methyl-2-[(E)-2-nitroethenyl]-1-benzofuran
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: CC1=C(OC2=C1C=CC(=C2)OC)/C=C/[N+](=O)[O-]
Structure:

CAS RN: 37714-57-1
CAS Name: 6,7-dimethoxy-2,3-dimethyl-4-[(E)-2-nitroethenyl]benzofuran
OPENEYE Name: 6,7-dimethoxy-2,3-dimethyl-4-[(E)-2-nitrovinyl]benzofuran
IUPAC Name: 6,7-dimethoxy-2,3-dimethyl-4-[(E)-2-nitroethenyl]-1-benzofuran
SYSTEMATIC NAME: 6,7-dimethoxy-2,3-dimethyl-4-[(E)-2-nitroethenyl]-1-benzofuran
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: CC1=C(OC2=C1C(=CC(=C2OC)OC)/C=C/[N+](=O)[O-])C
Structure:

CAS RN: 37714-56-0
CAS Name: 4,6-dimethoxy-2,3-dimethyl-7-[(E)-2-nitroethenyl]benzofuran
OPENEYE Name: 4,6-dimethoxy-2,3-dimethyl-7-[(E)-2-nitrovinyl]benzofuran
IUPAC Name: 4,6-dimethoxy-2,3-dimethyl-7-[(E)-2-nitroethenyl]-1-benzofuran
SYSTEMATIC NAME: 4,6-dimethoxy-2,3-dimethyl-7-[(E)-2-nitroethenyl]-1-benzofuran
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: CC1=C(OC2=C1C(=CC(=C2/C=C/[N+](=O)[O-])OC)OC)C
Structure:

CAS RN: 37714-55-9
CAS Name: 4,7-dimethoxy-2,3-dimethyl-6-[(E)-2-nitroethenyl]benzofuran
OPENEYE Name: 4,7-dimethoxy-2,3-dimethyl-6-[(E)-2-nitrovinyl]benzofuran
IUPAC Name: 4,7-dimethoxy-2,3-dimethyl-6-[(E)-2-nitroethenyl]-1-benzofuran
SYSTEMATIC NAME: 4,7-dimethoxy-2,3-dimethyl-6-[(E)-2-nitroethenyl]-1-benzofuran
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: CC1=C(OC2=C(C(=CC(=C12)OC)/C=C/[N+](=O)[O-])OC)C
Structure:

CAS RN: 37714-54-8
CAS Name: 5,7-dimethoxy-2,3-dimethyl-4-[(E)-2-nitroethenyl]benzofuran
OPENEYE Name: 5,7-dimethoxy-2,3-dimethyl-4-[(E)-2-nitrovinyl]benzofuran
IUPAC Name: 5,7-dimethoxy-2,3-dimethyl-4-[(E)-2-nitroethenyl]-1-benzofuran
SYSTEMATIC NAME: 5,7-dimethoxy-2,3-dimethyl-4-[(E)-2-nitroethenyl]-1-benzofuran
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: CC1=C(OC2=C(C=C(C(=C12)/C=C/[N+](=O)[O-])OC)OC)C
Structure:

CAS RN: 37714-53-7
CAS Name: 4-methoxy-2,3-dimethyl-7-[(E)-2-nitroethenyl]benzofuran
OPENEYE Name: 4-methoxy-2,3-dimethyl-7-[(E)-2-nitrovinyl]benzofuran
IUPAC Name: 4-methoxy-2,3-dimethyl-7-[(E)-2-nitroethenyl]-1-benzofuran
SYSTEMATIC NAME: 4-methoxy-2,3-dimethyl-7-[(E)-2-nitroethenyl]-1-benzofuran
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: CC1=C(OC2=C(C=CC(=C12)OC)/C=C/[N+](=O)[O-])C
Structure:

CAS RN: 37714-49-1
CAS Name: 6,7-dimethoxy-3-methyl-2-[(E)-2-nitroethenyl]benzofuran
OPENEYE Name: 6,7-dimethoxy-3-methyl-2-[(E)-2-nitrovinyl]benzofuran
IUPAC Name: 6,7-dimethoxy-3-methyl-2-[(E)-2-nitroethenyl]-1-benzofuran
SYSTEMATIC NAME: 6,7-dimethoxy-3-methyl-2-[(E)-2-nitroethenyl]-1-benzofuran
MOLECULAR FORMULA: C13H13NO5
MOLECULAR WEIGHT: 263.24602
SMILES: CC1=C(OC2=C1C=CC(=C2OC)OC)/C=C/[N+](=O)[O-]
Structure:

CAS RN: 37652-86-1
CAS Name: (E)-2-butenedioic acid; 4-[[2-(phenylmethyl)phenyl]methyl]-1-piperazinamine
OPENEYE Name: 4-[(2-benzylphenyl)methyl]piperazin-1-amine; fumaric acid
IUPAC Name: 4-[(2-benzylphenyl)methyl]piperazin-1-amine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[[2-(phenylmethyl)phenyl]methyl]piperazin-1-amine
MOLECULAR FORMULA: C26H31N3O8
MOLECULAR WEIGHT: 513.53964
SMILES: C1N(CCN(C1)N)CC2=CC=CC=C2CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 37652-85-0
CAS Name: (E)-2-butenedioic acid; 1-nitroso-4-[[2-(phenylmethyl)phenyl]methyl]piperazine
OPENEYE Name: 1-[(2-benzylphenyl)methyl]-4-nitroso-piperazine; fumaric acid
IUPAC Name: 1-[(2-benzylphenyl)methyl]-4-nitrosopiperazine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-nitroso-4-[[2-(phenylmethyl)phenyl]methyl]piperazine
MOLECULAR FORMULA: C22H25N3O5
MOLECULAR WEIGHT: 411.451
SMILES: C1CN(CCN1CC2=CC=CC=C2CC3=CC=CC=C3)N=O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 37652-77-0
CAS Name: (Z)-2-butenedioic acid; 3-[4-[[2-(phenylmethyl)phenyl]methyl]-1-piperazinyl]-1-propanol
OPENEYE Name: 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propan-1-ol; maleic acid
IUPAC Name: 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propan-1-ol; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[4-[[2-(phenylmethyl)phenyl]methyl]piperazin-1-yl]propan-1-ol
MOLECULAR FORMULA: C25H32N2O5
MOLECULAR WEIGHT: 440.53198
SMILES: C1CN(CCN1CCCO)CC2=CC=CC=C2CC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
Structure:

CAS RN: 37652-73-6
CAS Name: (Z)-2-butenedioic acid; 4-[2-oxo-4-[[2-(phenylmethyl)phenyl]methyl]-1-piperazinyl]butanoic acid
OPENEYE Name: 4-[4-[(2-benzylphenyl)methyl]-2-oxo-piperazin-1-yl]butanoic acid; maleic acid
IUPAC Name: 4-[4-[(2-benzylphenyl)methyl]-2-oxopiperazin-1-yl]butanoic acid; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 4-[2-oxidanylidene-4-[[2-(phenylmethyl)phenyl]methyl]piperazin-1-yl]butanoic acid
MOLECULAR FORMULA: C26H30N2O7
MOLECULAR WEIGHT: 482.5256
SMILES: C1CN(C(=O)CN1CC2=CC=CC=C2CC3=CC=CC=C3)CCCC(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:

CAS RN: 37652-71-4
CAS Name: (E)-2-butenedioic acid; 1-[4-[[2-(phenylmethyl)phenyl]methyl]-1-piperazinyl]ethanone
OPENEYE Name: 1-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]ethanone; fumaric acid
IUPAC Name: 1-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]ethanone; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[4-[[2-(phenylmethyl)phenyl]methyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C24H28N2O5
MOLECULAR WEIGHT: 424.48952
SMILES: CC(=O)N1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
Structure:

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