Tuesday, June 28, 2011

http://ChemLookup.com Compounds




CAS RN: 960226-55-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H19N3O4
MOLECULAR WEIGHT: 392.422445
SMILES: [2H]C([2H])([2H])N1CC(=O)N2[C@@H](C3=C(CC2C1=O)C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6

CAS RN: 1215621-31-0
CAS Name: 1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide; butanedioic acid
OPENEYE Name: 1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide; succinic acid
IUPAC Name: 1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide; butanedioic acid
SYSTEMATIC NAME: 1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide; butanedioic acid
MOLECULAR FORMULA: C18H27N3O6S
MOLECULAR WEIGHT: 419.525451
SMILES: [2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NC)C([2H])([2H])[2H].C(CC(=O)O)C(=O)O

CAS RN: 606927-07-5
CAS Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
OPENEYE Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
IUPAC Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
SYSTEMATIC NAME: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
MOLECULAR FORMULA: C15H19N5
MOLECULAR WEIGHT: 275.381831
SMILES: [2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3)C([2H])([2H])[2H]

CAS RN: 1217709-85-7
CAS Name: 4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
OPENEYE Name: 4-[2-[[(1S)-3-methyl-1-[2-(1-piperidyl)phenyl]butyl]amino]-2-oxo-ethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
IUPAC Name: 4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
SYSTEMATIC NAME: 4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxidanylidene-ethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
MOLECULAR FORMULA: C27H36N2O4
MOLECULAR WEIGHT: 457.616549
SMILES: [2H]C([2H])([2H])C([2H])([2H])OC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O

CAS RN: 934295-30-4
CAS Name: 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
OPENEYE Name: 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]-2-pyridyl]methylsulfinyl]-1H-benzimidazole
IUPAC Name: 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
SYSTEMATIC NAME: 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 362.461125
SMILES: [2H]C([2H])([2H])OCCCOC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2)C

CAS RN: 98897-23-5
CAS Name: 1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-(1-naphthalenyloxy)-2-propanol
OPENEYE Name: 1-(1-naphthyloxy)-3-[[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]amino]propan-2-ol
IUPAC Name: 1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
SYSTEMATIC NAME: 1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-naphthalen-1-yloxy-propan-2-ol
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 266.386572
SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COC1=CC=CC2=CC=CC=C21)O

CAS RN: 1189467-93-3
CAS Name: 1,2,3-trideuterio-5-deuteriooxy-4,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene
OPENEYE Name: 1,2,3-trideuterio-5-deuteriooxy-4,6-bis[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]benzene
IUPAC Name: 1,2,3-trideuterio-5-deuteriooxy-4,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene
SYSTEMATIC NAME: 1,2,3-trideuterio-5-deuteriooxy-4,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 196.381632
SMILES: [2H]C1=C(C(=C(C(=C1[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]

CAS RN: 1189891-71-1
CAS Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfonyl]-6-(trideuteriomethoxy)-1H-benzimidazole
OPENEYE Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfonyl]-6-(trideuteriomethoxy)-1H-benzimidazole
IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-6-(trideuteriomethoxy)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfonyl]-6-(trideuteriomethoxy)-1H-benzimidazole
MOLECULAR FORMULA: C17H19N3O4S
MOLECULAR WEIGHT: 364.433945
SMILES: [2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC3=NC=C(C(=C3C)OC)C

CAS RN: 922731-01-9
CAS Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
OPENEYE Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
SYSTEMATIC NAME: 2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
MOLECULAR FORMULA: C17H19N3O3S
MOLECULAR WEIGHT: 348.434545
SMILES: [2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)S(=O)CC3=NC=C(C(=C3C)OC)C

CAS RN: 1185132-92-6
CAS Name: 1,1,2,2,3-pentadeuterio-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride
OPENEYE Name: 1,1,2,2,3-pentadeuterio-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride
IUPAC Name: 1,1,2,2,3-pentadeuterio-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride
SYSTEMATIC NAME: 1,1,2,2,3-pentadeuterio-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride
MOLECULAR FORMULA: C16H17ClF3NO
MOLECULAR WEIGHT: 336.791298
SMILES: [2H]C([2H])(C([2H])([2H])N)C([2H])(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl

CAS RN: 1188266-14-9
CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(trideuteriomethyl) ester
OPENEYE Name: bis(trideuteriomethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: bis(trideuteriomethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: bis(trideuteriomethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C17H18N2O6
MOLECULAR WEIGHT: 352.371591
SMILES: [2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC([2H])([2H])[2H])C)C

CAS RN: 1190021-64-7
CAS Name: N-methyl-2-[3-[1-(trideuteriomethyl)-4-piperidinyl]-1H-indol-5-yl]ethanesulfonamide hydrochloride
OPENEYE Name: N-methyl-2-[3-[1-(trideuteriomethyl)-4-piperidyl]-1H-indol-5-yl]ethanesulfonamide hydrochloride
IUPAC Name: N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide hydrochloride
SYSTEMATIC NAME: N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide hydrochloride
MOLECULAR FORMULA: C17H26ClN3O2S
MOLECULAR WEIGHT: 374.943725
SMILES: [2H]C([2H])([2H])N1CCC(CC1)C2=CNC3=C2C=C(C=C3)CCS(=O)(=O)NC.Cl

CAS RN: 1185166-01-1
CAS Name: 3-(diaminomethylidene)-1,1-bis(trideuteriomethyl)guanidine hydrochloride
OPENEYE Name: 3-(diaminomethylene)-1,1-bis(trideuteriomethyl)guanidine hydrochloride
IUPAC Name: 3-(diaminomethylidene)-1,1-bis(trideuteriomethyl)guanidine hydrochloride
SYSTEMATIC NAME: 3-[bis(azanyl)methylidene]-1,1-bis(trideuteriomethyl)guanidine hydrochloride
MOLECULAR FORMULA: C4H12ClN5
MOLECULAR WEIGHT: 171.661551
SMILES: [2H]C([2H])([2H])N(C(=N)N=C(N)N)C([2H])([2H])[2H].Cl

CAS RN: 1185106-66-4
CAS Name: carbamic acid [2-(carbamoyloxymethyl)-2-(trideuteriomethyl)pentyl] ester
OPENEYE Name: [2-(carbamoyloxymethyl)-2-(trideuteriomethyl)pentyl] carbamate
IUPAC Name: [2-(carbamoyloxymethyl)-2-(trideuteriomethyl)pentyl] carbamate
SYSTEMATIC NAME: [2-(aminocarbonyloxymethyl)-2-(trideuteriomethyl)pentyl] carbamate
MOLECULAR FORMULA: C9H18N2O4
MOLECULAR WEIGHT: 221.268705
SMILES: [2H]C([2H])([2H])C(CCC)(COC(=O)N)COC(=O)N

CAS RN: 1185032-66-9
CAS Name: 5-ethyl-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dione
OPENEYE Name: 5-ethyl-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dione
IUPAC Name: 5-ethyl-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-ethyl-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 223.282569
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2(C(=O)N(C(=O)N2)C)CC)[2H])[2H]

CAS RN: 1189729-40-5
CAS Name: 5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)-4-imidazolecarboxylic acid
OPENEYE Name: 5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazole-4-carboxylic acid
IUPAC Name: 5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazole-4-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazole-4-carboxylic acid
MOLECULAR FORMULA: C22H21ClN6O2
MOLECULAR WEIGHT: 439.912625
SMILES: [2H]C([2H])([2H])CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl

CAS RN: 1030936-74-3
CAS Name: [5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)-4-imidazolyl]methanol
OPENEYE Name: [5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
IUPAC Name: [5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
SYSTEMATIC NAME: [5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
MOLECULAR FORMULA: C22H23ClN6O
MOLECULAR WEIGHT: 425.929105
SMILES: [2H]C([2H])([2H])CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl

CAS RN: 1217851-16-5
CAS Name: (2S)-4,4,4-trideuterio-2-(2-oxo-1-pyrrolidinyl)butanamide
OPENEYE Name: (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide
IUPAC Name: (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide
SYSTEMATIC NAME: (2S)-4,4,4-trideuterio-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide
MOLECULAR FORMULA: C8H14N2O2
MOLECULAR WEIGHT: 173.227445
SMILES: [2H]C([2H])([2H])C[C@@H](C(=O)N)N1CCCC1=O

CAS RN: 1184999-77-6
CAS Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfonyl]-1H-benzimidazole
OPENEYE Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfonyl]-1H-benzimidazole
IUPAC Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazole
SYSTEMATIC NAME: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfonyl]-1H-benzimidazole
MOLECULAR FORMULA: C16H14F3N3O3S
MOLECULAR WEIGHT: 389.385517
SMILES: [2H]C1=C(C(=C2C(=C1[2H])NC(=N2)S(=O)(=O)CC3=NC=CC(=C3C)OCC(F)(F)F)[2H])[2H]

CAS RN: 1216682-38-0
CAS Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylthio]-1H-benzimidazole
OPENEYE Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfanyl]-1H-benzimidazole
IUPAC Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
SYSTEMATIC NAME: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
MOLECULAR FORMULA: C16H14F3N3OS
MOLECULAR WEIGHT: 357.386717
SMILES: [2H]C1=C(C(=C2C(=C1[2H])NC(=N2)SCC3=NC=CC(=C3C)OCC(F)(F)F)[2H])[2H]

CAS RN: 934294-22-1
CAS Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
OPENEYE Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole
IUPAC Name: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
SYSTEMATIC NAME: 4,5,6,7-tetradeuterio-2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
MOLECULAR FORMULA: C16H14F3N3O2S
MOLECULAR WEIGHT: 373.386117
SMILES: [2H]C1=C(C(=C2C(=C1[2H])NC(=N2)S(=O)CC3=NC=CC(=C3C)OCC(F)(F)F)[2H])[2H]

CAS RN: 1185245-62-8
CAS Name: 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid bis(1,1,2,2,2-pentadeuterioethyl) ester
OPENEYE Name: bis(1,1,2,2,2-pentadeuterioethyl) 4-[2-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: bis(1,1,2,2,2-pentadeuterioethyl) 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: bis(1,1,2,2,2-pentadeuterioethyl) 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C26H33NO6
MOLECULAR WEIGHT: 465.604938
SMILES: [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)OC([2H])([2H])C([2H])([2H])[2H])C)C

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