Monday, June 27, 2011

http://ChemLookup.com Compounds




CAS RN: 936626-74-3
CAS Name: 7-spiro[furo[3,4-b]pyridine-5,4'-piperidine]one dihydrochloride
OPENEYE Name: spiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one dihydrochloride
IUPAC Name: spiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one dihydrochloride
SYSTEMATIC NAME: spiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one dihydrochloride
MOLECULAR FORMULA: C11H14Cl2N2O2
MOLECULAR WEIGHT: 277.14706
SMILES: C1CNCCC12C3=C(C(=O)O2)N=CC=C3.Cl.Cl

CAS RN: 1160246-91-2
CAS Name: 2-amino-4-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-amino-4-oxa-8-azaspiro[4.5]decane-8-carboxylate
IUPAC Name: tert-butyl 2-amino-4-oxa-8-azaspiro[4.5]decane-8-carboxylate
SYSTEMATIC NAME: tert-butyl 2-azanyl-4-oxa-8-azaspiro[4.5]decane-8-carboxylate
MOLECULAR FORMULA: C13H24N2O3
MOLECULAR WEIGHT: 256.34126
SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)N

CAS RN: 637362-21-1
CAS Name: 5-chloro-1'-spiro[1,2-dihydroindole-3,4'-piperidine]carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylate
IUPAC Name: tert-butyl 5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SYSTEMATIC NAME: tert-butyl 5-chloranylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
MOLECULAR FORMULA: C17H23ClN2O2
MOLECULAR WEIGHT: 322.82972
SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CNC3=C2C=C(C=C3)Cl

CAS RN: 1194375-87-5
CAS Name: 2-(phenylmethyl)-2,7-diazaspiro[3.4]octane
OPENEYE Name: 2-benzyl-2,7-diazaspiro[3.4]octane
IUPAC Name: 2-benzyl-2,7-diazaspiro[3.4]octane
SYSTEMATIC NAME: 2-(phenylmethyl)-2,7-diazaspiro[3.4]octane
MOLECULAR FORMULA: C13H18N2
MOLECULAR WEIGHT: 202.29542
SMILES: C1CNCC12CN(C2)CC3=CC=CC=C3

CAS RN: 885270-86-0
CAS Name: 2,7-diazaspiro[3.4]octane-7-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,7-diazaspiro[3.4]octane-7-carboxylate
IUPAC Name: tert-butyl 2,7-diazaspiro[3.4]octane-7-carboxylate
SYSTEMATIC NAME: tert-butyl 2,7-diazaspiro[3.4]octane-7-carboxylate
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CNC2

CAS RN: 1202179-27-8
CAS Name: 2-(phenylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-benzyl-2,7-diazaspiro[3.4]octane-7-carboxylate
IUPAC Name: tert-butyl 2-benzyl-2,7-diazaspiro[3.4]octane-7-carboxylate
SYSTEMATIC NAME: tert-butyl 2-(phenylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
MOLECULAR FORMULA: C18H26N2O2
MOLECULAR WEIGHT: 302.41124
SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CN(C2)CC3=CC=CC=C3

CAS RN: 1206969-92-7
CAS Name: 2-(phenylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-benzyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
IUPAC Name: tert-butyl 2-benzyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SYSTEMATIC NAME: tert-butyl 2-(phenylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
MOLECULAR FORMULA: C19H28N2O2
MOLECULAR WEIGHT: 316.43782
SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CN(C2)CC3=CC=CC=C3

CAS RN: 1206969-43-8
CAS Name: 2-(phenylmethyl)-2,8-diazaspiro[3.5]nonane-8-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-benzyl-2,8-diazaspiro[3.5]nonane-8-carboxylate
IUPAC Name: tert-butyl 2-benzyl-2,8-diazaspiro[3.5]nonane-8-carboxylate
SYSTEMATIC NAME: tert-butyl 2-(phenylmethyl)-2,8-diazaspiro[3.5]nonane-8-carboxylate
MOLECULAR FORMULA: C19H28N2O2
MOLECULAR WEIGHT: 316.43782
SMILES: CC(C)(C)OC(=O)N1CCCC2(C1)CN(C2)CC3=CC=CC=C3

CAS RN: 1194508-28-5
CAS Name: 6-(phenylmethyl)-2,6-diazaspiro[3.3]heptane
OPENEYE Name: 6-benzyl-2,6-diazaspiro[3.3]heptane
IUPAC Name: 6-benzyl-2,6-diazaspiro[3.3]heptane
SYSTEMATIC NAME: 6-(phenylmethyl)-2,6-diazaspiro[3.3]heptane
MOLECULAR FORMULA: C12H16N2
MOLECULAR WEIGHT: 188.26884
SMILES: C1C2(CN1)CN(C2)CC3=CC=CC=C3

CAS RN: 1167424-93-2
CAS Name: 2-(phenylmethyl)-2,6-diazaspiro[3.3]heptane-6-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-benzyl-2,6-diazaspiro[3.3]heptane-6-carboxylate
IUPAC Name: tert-butyl 2-benzyl-2,6-diazaspiro[3.3]heptane-6-carboxylate
SYSTEMATIC NAME: tert-butyl 2-(phenylmethyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate
MOLECULAR FORMULA: C17H24N2O2
MOLECULAR WEIGHT: 288.38466
SMILES: CC(C)(C)OC(=O)N1CC2(C1)CN(C2)CC3=CC=CC=C3

CAS RN: 1192570-20-9
CAS Name: 2-(4-morpholinyl)-2-[2-(trifluoromethyl)-5-pyrimidinyl]ethanamine
OPENEYE Name: 2-morpholino-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
IUPAC Name: 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SYSTEMATIC NAME: 2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
MOLECULAR FORMULA: C11H15F3N4O
MOLECULAR WEIGHT: 276.25821
SMILES: C1COCCN1C(CN)C2=CN=C(N=C2)C(F)(F)F

CAS RN: 878742-59-7
CAS Name: 2-(trifluoromethyl)-4-pyrimidinecarboxylic acid
OPENEYE Name: 2-(trifluoromethyl)pyrimidine-4-carboxylic acid
IUPAC Name: 2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 2-(trifluoromethyl)pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C6H3F3N2O2
MOLECULAR WEIGHT: 192.09543
SMILES: C1=CN=C(N=C1C(=O)O)C(F)(F)F

CAS RN: 1121583-63-8
CAS Name: 4-phenoxy-1-benzothiophene-7-carboxaldehyde
OPENEYE Name: 4-phenoxybenzothiophene-7-carbaldehyde
IUPAC Name: 4-phenoxy-1-benzothiophene-7-carbaldehyde
SYSTEMATIC NAME: 4-phenoxy-1-benzothiophene-7-carbaldehyde
MOLECULAR FORMULA: C15H10O2S
MOLECULAR WEIGHT: 254.3037
SMILES: C1=CC=C(C=C1)OC2=C3C=CSC3=C(C=C2)C=O

CAS RN: 1121585-31-6
CAS Name: 4-phenoxy-1-benzothiophene
OPENEYE Name: 4-phenoxybenzothiophene
IUPAC Name: 4-phenoxy-1-benzothiophene
SYSTEMATIC NAME: 4-phenoxy-1-benzothiophene
MOLECULAR FORMULA: C14H10OS
MOLECULAR WEIGHT: 226.2936
SMILES: C1=CC=C(C=C1)OC2=C3C=CSC3=CC=C2

CAS RN: 1263283-54-0
CAS Name: 1-[(2,4-dimethylphenyl)methyl]-6-(1-methyl-2-pyrrolyl)-2-oxo-4-(trifluoromethyl)-3-pyridinecarbonitrile
OPENEYE Name: 1-[(2,4-dimethylphenyl)methyl]-6-(1-methylpyrrol-2-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-6-(1-methylpyrrol-2-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 1-[(2,4-dimethylphenyl)methyl]-6-(1-methylpyrrol-2-yl)-2-oxidanylidene-4-(trifluoromethyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C21H18F3N3O
MOLECULAR WEIGHT: 385.38233
SMILES: CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3=CC=CN3C)C

CAS RN: 849106-19-0
CAS Name: 4-[4-chloro-2-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-[4-chloro-2-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]-4-hydroxy-piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-[4-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-hydroxypiperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[4-chloranyl-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-oxidanyl-piperidine-1-carboxylate
MOLECULAR FORMULA: C21H29ClN2O4
MOLECULAR WEIGHT: 408.91896
SMILES: CC1(COC(=N1)C2=C(C=CC(=C2)Cl)C3(CCN(CC3)C(=O)OC(C)(C)C)O)C

CAS RN: 745055-24-7
CAS Name: 3-[3-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
OPENEYE Name: 3-[3-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
IUPAC Name: 3-[3-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
SYSTEMATIC NAME: 3-[3-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
MOLECULAR FORMULA: C18H16N2O5
MOLECULAR WEIGHT: 340.33004
SMILES: COCCOC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)C(=O)O

CAS RN: 1125406-99-6
CAS Name: 3-(6-chloro-2-imidazo[1,2-b]pyridazinyl)benzonitrile
OPENEYE Name: 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
IUPAC Name: 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
SYSTEMATIC NAME: 3-(6-chloranylimidazo[1,2-b]pyridazin-2-yl)benzenecarbonitrile
MOLECULAR FORMULA: C13H7ClN4
MOLECULAR WEIGHT: 254.67448
SMILES: C1=CC(=CC(=C1)C2=CN3C(=N2)C=CC(=N3)Cl)C#N

CAS RN: 137347-70-7
CAS Name: 5-chloro-10-methylpyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 5-chloro-10-methyl-pyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 5-chloro-10-methylpyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 5-chloranyl-10-methyl-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C12H8ClN3O2
MOLECULAR WEIGHT: 261.66382
SMILES: CN1C2=CC=CC=C2C(=C3C1=NC(=O)NC3=O)Cl

CAS RN: 1140495-90-4
CAS Name: 4-[(4-chlorophenyl)methyl]-3-methyl-5-(2-pyrrolidinyl)-1,2,4-triazole
OPENEYE Name: 4-[(4-chlorophenyl)methyl]-3-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
IUPAC Name: 4-[(4-chlorophenyl)methyl]-3-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
SYSTEMATIC NAME: 4-[(4-chlorophenyl)methyl]-3-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
MOLECULAR FORMULA: C14H17ClN4
MOLECULAR WEIGHT: 276.76458
SMILES: CC1=NN=C(N1CC2=CC=C(C=C2)Cl)C3CCCN3

CAS RN: 886367-24-4
CAS Name: 7,9-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
OPENEYE Name: 7,9-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
IUPAC Name: 7,9-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
SYSTEMATIC NAME: 7,9-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CC1=CC(=C2C(=C1)C(=O)CCCN2)C

CAS RN: 960401-42-7
CAS Name: 3-(4-amino-2-methoxyphenoxy)-1-azetidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(4-amino-2-methoxy-phenoxy)azetidine-1-carboxylate
IUPAC Name: tert-butyl 3-(4-amino-2-methoxyphenoxy)azetidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(4-azanyl-2-methoxy-phenoxy)azetidine-1-carboxylate
MOLECULAR FORMULA: C15H22N2O4
MOLECULAR WEIGHT: 294.34618
SMILES: CC(C)(C)OC(=O)N1CC(C1)OC2=C(C=C(C=C2)N)OC

CAS RN: 960401-34-7
CAS Name: 3-(2-methoxy-4-nitrophenoxy)-1-azetidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(2-methoxy-4-nitro-phenoxy)azetidine-1-carboxylate
IUPAC Name: tert-butyl 3-(2-methoxy-4-nitrophenoxy)azetidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(2-methoxy-4-nitro-phenoxy)azetidine-1-carboxylate
MOLECULAR FORMULA: C15H20N2O6
MOLECULAR WEIGHT: 324.3291
SMILES: CC(C)(C)OC(=O)N1CC(C1)OC2=C(C=C(C=C2)[N+](=O)[O-])OC

CAS RN: 1121583-64-9
CAS Name: 2-[7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid
OPENEYE Name: 2-[7-(trifluoromethyl)chroman-4-yl]acetic acid
IUPAC Name: 2-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
SYSTEMATIC NAME: 2-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]ethanoic acid
MOLECULAR FORMULA: C12H11F3O3
MOLECULAR WEIGHT: 260.20915
SMILES: C1COC2=C(C1CC(=O)O)C=CC(=C2)C(F)(F)F

CAS RN: 1071506-65-4
CAS Name: 5-phenyl-1,4-dioxane-2-carboxylic acid
OPENEYE Name: 5-phenyl-1,4-dioxane-2-carboxylic acid
IUPAC Name: 5-phenyl-1,4-dioxane-2-carboxylic acid
SYSTEMATIC NAME: 5-phenyl-1,4-dioxane-2-carboxylic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: C1C(OCC(O1)C(=O)O)C2=CC=CC=C2

CAS RN: 1001907-44-3
CAS Name: 3-(hydrazinecarbonyl)-1-azetidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(hydrazinecarbonyl)azetidine-1-carboxylate
IUPAC Name: tert-butyl 3-(hydrazinecarbonyl)azetidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(aminocarbamoyl)azetidine-1-carboxylate
MOLECULAR FORMULA: C9H17N3O3
MOLECULAR WEIGHT: 215.24958
SMILES: CC(C)(C)OC(=O)N1CC(C1)C(=O)NN

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