Saturday, December 31, 2011

http://ChemLookup.com Compounds




CAS RN: 135380-53-9
CAS Name: 8-methyl-3,8-diazaspiro[4.4]nonane
OPENEYE Name: 8-methyl-3,8-diazaspiro[4.4]nonane
IUPAC Name: 8-methyl-3,8-diazaspiro[4.4]nonane
SYSTEMATIC NAME: 8-methyl-3,8-diazaspiro[4.4]nonane
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: CN1CCC2(C1)CCNC2
Structure:

CAS RN: 739363-75-8
CAS Name: 2-pyrrolidinecarbonitrile
OPENEYE Name: pyrrolidine-2-carbonitrile
IUPAC Name: pyrrolidine-2-carbonitrile
SYSTEMATIC NAME: pyrrolidine-2-carbonitrile
MOLECULAR FORMULA: C5H8N2
MOLECULAR WEIGHT: 96.13042
SMILES: C1CC(NC1)C#N
Structure:

CAS RN: 77620-64-5
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-oxiranylmethyl)-N-propyl-1-octanesulfonamide
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)-N-propyl-octane-1-sulfonamide
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)-N-propyloctane-1-sulfonamide
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)-N-(oxiran-2-ylmethyl)-N-propyl-octane-1-sulfonamide
MOLECULAR FORMULA: C14H12F17NO3S
MOLECULAR WEIGHT: 597.287834
SMILES: CCCN(CC1CO1)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:

CAS RN: 78583-83-2
CAS Name: 5-(4-nitrophenyl)-1H-pyrazol-3-amine
OPENEYE Name: 5-(4-nitrophenyl)-1H-pyrazol-3-amine
IUPAC Name: 5-(4-nitrophenyl)-1H-pyrazol-3-amine
SYSTEMATIC NAME: 5-(4-nitrophenyl)-1H-pyrazol-3-amine
MOLECULAR FORMULA: C9H8N4O2
MOLECULAR WEIGHT: 204.18542
SMILES: C1=CC(=CC=C1C2=CC(=NN2)N)[N+](=O)[O-]
Structure:

CAS RN: 19116-61-1
CAS Name: 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
OPENEYE Name: trimethoxy-[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]silane
IUPAC Name: 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-trimethoxysilane
SYSTEMATIC NAME: 3-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yloxy]propyl-trimethoxy-silane
MOLECULAR FORMULA: C9H15F7O4Si
MOLECULAR WEIGHT: 348.287322
SMILES: CO[Si](CCCOC(C(F)(F)F)(C(F)(F)F)F)(OC)OC
Structure:

CAS RN: 679-69-6
CAS Name: 1,2-dichloro-1,1,2-trifluoro-4-iodobutane
OPENEYE Name: 1,2-dichloro-1,1,2-trifluoro-4-iodo-butane
IUPAC Name: 1,2-dichloro-1,1,2-trifluoro-4-iodobutane
SYSTEMATIC NAME: 1,2-bis(chloranyl)-1,1,2-tris(fluoranyl)-4-iodanyl-butane
MOLECULAR FORMULA: C4H4Cl2F3I
MOLECULAR WEIGHT: 306.88024
SMILES: C(CI)C(C(F)(F)Cl)(F)Cl
Structure:

CAS RN: 7644-03-3
CAS Name: [2-(4-chlorophenyl)-2-oxoethyl]ammonium
OPENEYE Name: [2-(4-chlorophenyl)-2-oxo-ethyl]ammonium
IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C8H9ClNO+
MOLECULAR WEIGHT: 170.61616
SMILES: C1=CC(=CC=C1C(=O)C[NH3+])Cl
Structure:

CAS RN: 916587-44-5
CAS Name: N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
IUPAC Name: tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
SYSTEMATIC NAME: tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
MOLECULAR FORMULA: C18H28BNO4
MOLECULAR WEIGHT: 333.23022
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C)C(=O)OC(C)(C)C
Structure:

CAS RN: 825-40-1
CAS Name: 1-(2-bromo-4-chlorophenyl)ethanone
OPENEYE Name: 1-(2-bromo-4-chloro-phenyl)ethanone
IUPAC Name: 1-(2-bromo-4-chlorophenyl)ethanone
SYSTEMATIC NAME: 1-(2-bromanyl-4-chloranyl-phenyl)ethanone
MOLECULAR FORMULA: C8H6BrClO
MOLECULAR WEIGHT: 233.48964
SMILES: CC(=O)C1=C(C=C(C=C1)Cl)Br
Structure:

CAS RN: 888323-62-4
CAS Name: 3-cyclopropyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: 2-(tert-butoxycarbonylamino)-3-cyclopropyl-propanoic acid
IUPAC Name: 3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: 3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O
Structure:

CAS RN: 886506-48-5
CAS Name: N-[2-(2-piperidinyl)ethyl]acetamide
OPENEYE Name: N-[2-(2-piperidyl)ethyl]acetamide
IUPAC Name: N-(2-piperidin-2-ylethyl)acetamide
SYSTEMATIC NAME: N-(2-piperidin-2-ylethyl)ethanamide
MOLECULAR FORMULA: C9H18N2O
MOLECULAR WEIGHT: 170.25202
SMILES: CC(=O)NCCC1CCCCN1
Structure:

CAS RN: 847499-95-0
CAS Name: 1-(2-aminoethyl)-3-piperidinol
OPENEYE Name: 1-(2-aminoethyl)piperidin-3-ol
IUPAC Name: 1-(2-aminoethyl)piperidin-3-ol
SYSTEMATIC NAME: 1-(2-azanylethyl)piperidin-3-ol
MOLECULAR FORMULA: C7H16N2O
MOLECULAR WEIGHT: 144.21474
SMILES: C1CC(CN(C1)CCN)O
Structure:

CAS RN: 71271-61-9
CAS Name: 1-(3-pyridinyl)-2-propanamine
OPENEYE Name: 1-(3-pyridyl)propan-2-amine
IUPAC Name: 1-pyridin-3-ylpropan-2-amine
SYSTEMATIC NAME: 1-pyridin-3-ylpropan-2-amine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CC(CC1=CN=CC=C1)N
Structure:

CAS RN: 763908-64-1
CAS Name: 1-[2-(4-piperidinyl)ethyl]-2-pyrrolidinone
OPENEYE Name: 1-[2-(4-piperidyl)ethyl]pyrrolidin-2-one
IUPAC Name: 1-(2-piperidin-4-ylethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(2-piperidin-4-ylethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C11H20N2O
MOLECULAR WEIGHT: 196.2893
SMILES: C1CC(=O)N(C1)CCC2CCNCC2
Structure:

CAS RN: 3236-66-6
CAS Name: 1-(2-chloroethyl)-1,2,4-triazole
OPENEYE Name: 1-(2-chloroethyl)-1,2,4-triazole
IUPAC Name: 1-(2-chloroethyl)-1,2,4-triazole
SYSTEMATIC NAME: 1-(2-chloroethyl)-1,2,4-triazole
MOLECULAR FORMULA: C4H6ClN3
MOLECULAR WEIGHT: 131.56354
SMILES: C1=NN(C=N1)CCCl
Structure:

CAS RN: 51390-23-9
CAS Name: 3-(1-imidazolyl)-1-propanol
OPENEYE Name: 3-imidazol-1-ylpropan-1-ol
IUPAC Name: 3-imidazol-1-ylpropan-1-ol
SYSTEMATIC NAME: 3-imidazol-1-ylpropan-1-ol
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: C1=CN(C=N1)CCCO
Structure:

CAS RN: 59500-67-3
CAS Name: 6-nitro-2-quinolinecarboxaldehyde
OPENEYE Name: 6-nitroquinoline-2-carbaldehyde
IUPAC Name: 6-nitroquinoline-2-carbaldehyde
SYSTEMATIC NAME: 6-nitroquinoline-2-carbaldehyde
MOLECULAR FORMULA: C10H6N2O3
MOLECULAR WEIGHT: 202.16624
SMILES: C1=CC2=C(C=CC(=N2)C=O)C=C1[N+](=O)[O-]
Structure:

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