Sunday, July 29, 2012

http://ChemLookup.com Compounds




CAS RN: 2434-88-0
CAS Name: methanesulfonic acid [(2S,3R)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl ester
OPENEYE Name: [(2S,3R)-3-(methylsulfonyloxymethyl)norbornan-2-yl]methyl methanesulfonate
IUPAC Name: [(2S,3R)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl methanesulfonate
SYSTEMATIC NAME: [(2S,3R)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl methanesulfonate
MOLECULAR FORMULA: C11H20O6S2
MOLECULAR WEIGHT: 312.4029
SMILES: CS(=O)(=O)OC[C@@H]1[C@@H](C2CCC1C2)COS(=O)(=O)C
Structure:

CAS RN: 2769-09-7
CAS Name: 4-(1-cyclopenta-2,4-dienylidenemethyl)-N-methylaniline
OPENEYE Name: 4-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methyl-aniline
IUPAC Name: 4-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylaniline
SYSTEMATIC NAME: 4-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methyl-aniline
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: CNC1=CC=C(C=C1)C=C2C=CC=C2
Structure:

CAS RN: 470-13-3
CAS Name: N-methyl-2-oxo-N-[4-(2-phenylethenyl)phenyl]-1,3,2$l^{5}-oxazaphosphorinan-2-amine
OPENEYE Name: N-methyl-2-oxo-N-(4-styrylphenyl)-1,3,2$l^{5}-oxazaphosphinan-2-amine
IUPAC Name: N-methyl-2-oxo-N-[4-(2-phenylethenyl)phenyl]-1,3,2$l^{5}-oxazaphosphinan-2-amine
SYSTEMATIC NAME: N-methyl-2-oxidanylidene-N-[4-(2-phenylethenyl)phenyl]-1,3,2$l^{5}-oxazaphosphinan-2-amine
MOLECULAR FORMULA: C18H21N2O2P
MOLECULAR WEIGHT: 328.345301
SMILES: CN(C1=CC=C(C=C1)C=CC2=CC=CC=C2)P3(=O)NCCCO3
Structure:

CAS RN: 2428-36-6
CAS Name: N-butyl-4-(1-indenylidenemethyl)aniline
OPENEYE Name: N-butyl-4-(inden-1-ylidenemethyl)aniline
IUPAC Name: N-butyl-4-(inden-1-ylidenemethyl)aniline
SYSTEMATIC NAME: N-butyl-4-(inden-1-ylidenemethyl)aniline
MOLECULAR FORMULA: C20H21N
MOLECULAR WEIGHT: 275.38744
SMILES: CCCCNC1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32
Structure:

CAS RN: 23114-26-3
CAS Name: 2-[[4-(dimethylamino)-2,5-dimethoxyphenyl]methylidene]-3H-inden-1-one
OPENEYE Name: 2-[[4-(dimethylamino)-2,5-dimethoxy-phenyl]methylene]indan-1-one
IUPAC Name: 2-[[4-(dimethylamino)-2,5-dimethoxyphenyl]methylidene]-3H-inden-1-one
SYSTEMATIC NAME: 2-[[4-(dimethylamino)-2,5-dimethoxy-phenyl]methylidene]-3H-inden-1-one
MOLECULAR FORMULA: C20H21NO3
MOLECULAR WEIGHT: 323.38564
SMILES: CN(C)C1=C(C=C(C(=C1)OC)C=C2CC3=CC=CC=C3C2=O)OC
Structure:

CAS RN: 5410-85-5
CAS Name: 1-nitro-4-[4-(4-nitrophenyl)butyl]benzene
OPENEYE Name: 1-nitro-4-[4-(4-nitrophenyl)butyl]benzene
IUPAC Name: 1-nitro-4-[4-(4-nitrophenyl)butyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[4-(4-nitrophenyl)butyl]benzene
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: C1=CC(=CC=C1CCCCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 1121-49-9
CAS Name: 1-nitro-4-[3-(4-nitrophenyl)propyl]benzene
OPENEYE Name: 1-nitro-4-[3-(4-nitrophenyl)propyl]benzene
IUPAC Name: 1-nitro-4-[3-(4-nitrophenyl)propyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[3-(4-nitrophenyl)propyl]benzene
MOLECULAR FORMULA: C15H14N2O4
MOLECULAR WEIGHT: 286.28266
SMILES: C1=CC(=CC=C1CCCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 6635-67-2
CAS Name: 1-[4-[4-(4-acetylphenyl)butyl]phenyl]ethanone
OPENEYE Name: 1-[4-[4-(4-acetylphenyl)butyl]phenyl]ethanone
IUPAC Name: 1-[4-[4-(4-acetylphenyl)butyl]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[4-(4-ethanoylphenyl)butyl]phenyl]ethanone
MOLECULAR FORMULA: C20H22O2
MOLECULAR WEIGHT: 294.38748
SMILES: CC(=O)C1=CC=C(C=C1)CCCCC2=CC=C(C=C2)C(=O)C
Structure:

CAS RN: 20464-90-8
CAS Name: 1,4-bis(2-chloroethylthio)-2,3,5,6-tetrafluorobenzene
OPENEYE Name: 1,4-bis(2-chloroethylsulfanyl)-2,3,5,6-tetrafluoro-benzene
IUPAC Name: 1,4-bis(2-chloroethylsulfanyl)-2,3,5,6-tetrafluorobenzene
SYSTEMATIC NAME: 1,4-bis(2-chloroethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzene
MOLECULAR FORMULA: C10H8Cl2F4S2
MOLECULAR WEIGHT: 339.200133
SMILES: C(CCl)SC1=C(C(=C(C(=C1F)F)SCCCl)F)F
Structure:

CAS RN: 5177-27-5
CAS Name: 2,4-dichloro-5-pyrimidinamine
OPENEYE Name: 2,4-dichloropyrimidin-5-amine
IUPAC Name: 2,4-dichloropyrimidin-5-amine
SYSTEMATIC NAME: 2,4-bis(chloranyl)pyrimidin-5-amine
MOLECULAR FORMULA: C4H3Cl2N3
MOLECULAR WEIGHT: 163.99272
SMILES: C1=C(C(=NC(=N1)Cl)Cl)N
Structure:

CAS RN: 3702-98-5
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(cyanomethyl)nitrous amide
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(cyanomethyl)nitrous amide
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(cyanomethyl)nitrous amide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-(cyanomethyl)nitrous amide
MOLECULAR FORMULA: C10H9N3O3
MOLECULAR WEIGHT: 219.19676
SMILES: C1OC2=C(O1)C=C(C=C2)CN(CC#N)N=O
Structure:

CAS RN: 5227-53-2
CAS Name: 2-azepanecarboxylic acid
OPENEYE Name: azepane-2-carboxylic acid
IUPAC Name: azepane-2-carboxylic acid
SYSTEMATIC NAME: azepane-2-carboxylic acid
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: C1CCC(NCC1)C(=O)O
Structure:

CAS RN: 16687-61-9
CAS Name: 5-(4-chlorophenyl)-2H-tetrazole
OPENEYE Name: 5-(4-chlorophenyl)-2H-tetrazole
IUPAC Name: 5-(4-chlorophenyl)-2H-tetrazole
SYSTEMATIC NAME: 5-(4-chlorophenyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C7H5ClN4
MOLECULAR WEIGHT: 180.5944
SMILES: C1=CC(=CC=C1C2=NNN=N2)Cl
Structure:

CAS RN: 19427-36-2
CAS Name: 3,9-bis(1-pyrrolidinyl)-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
OPENEYE Name: 3,9-dipyrrolidin-1-yl-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
IUPAC Name: 3,9-dipyrrolidin-1-yl-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
SYSTEMATIC NAME: 3,9-dipyrrolidin-1-yl-2,4,8,10-tetraoxa-3$l^{5},9$l^{5}-diphosphaspiro[5.5]undecane 3,9-dioxide
MOLECULAR FORMULA: C13H24N2O6P2
MOLECULAR WEIGHT: 366.286982
SMILES: C1CCN(C1)P2(=O)OCC3(CO2)COP(=O)(OC3)N4CCCC4
Structure:

CAS RN: 6622-70-4
CAS Name: 5-(2-methylpropylimino)-2-furanone
OPENEYE Name: 5-isobutyliminofuran-2-one
IUPAC Name: 5-(2-methylpropylimino)furan-2-one
SYSTEMATIC NAME: 5-(2-methylpropylimino)furan-2-one
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: CC(C)CN=C1C=CC(=O)O1
Structure:

CAS RN: 27431-40-9
CAS Name: 5-(3-anilinopropyl)-6-methylpyrimidine-2,4-diamine
OPENEYE Name: 5-(3-anilinopropyl)-6-methyl-pyrimidine-2,4-diamine
IUPAC Name: 5-(3-anilinopropyl)-6-methylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-methyl-5-(3-phenylazanylpropyl)pyrimidine-2,4-diamine
MOLECULAR FORMULA: C14H19N5
MOLECULAR WEIGHT: 257.33416
SMILES: CC1=C(C(=NC(=N1)N)N)CCCNC2=CC=CC=C2
Structure:

CAS RN: 77453-01-1
CAS Name: 2-(3,4-dihydro-2H-quinolin-1-ylmethylidene)propanedinitrile
OPENEYE Name: 2-(3,4-dihydro-2H-quinolin-1-ylmethylene)propanedinitrile
IUPAC Name: 2-(3,4-dihydro-2H-quinolin-1-ylmethylidene)propanedinitrile
SYSTEMATIC NAME: 2-(3,4-dihydro-2H-quinolin-1-ylmethylidene)propanedinitrile
MOLECULAR FORMULA: C13H11N3
MOLECULAR WEIGHT: 209.24654
SMILES: C1CC2=CC=CC=C2N(C1)C=C(C#N)C#N
Structure:

CAS RN: 5191-80-0
CAS Name: 2-amino-3-[(diphenylmethyl)thio]propanoic acid
OPENEYE Name: 2-amino-3-benzhydrylsulfanyl-propanoic acid
IUPAC Name: 2-amino-3-benzhydrylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(diphenylmethyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C16H17NO2S
MOLECULAR WEIGHT: 287.37668
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(C(=O)O)N
Structure:

CAS RN: 2567-29-5
CAS Name: 1-(bromomethyl)-4-phenylbenzene
OPENEYE Name: 1-(bromomethyl)-4-phenyl-benzene
IUPAC Name: 1-(bromomethyl)-4-phenylbenzene
SYSTEMATIC NAME: 1-(bromomethyl)-4-phenyl-benzene
MOLECULAR FORMULA: C13H11Br
MOLECULAR WEIGHT: 247.13044
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CBr
Structure:

CAS RN: 6439-85-6
CAS Name: 1,3,7,9-tetramethylpyrimido[5,4-g]pteridine-2,4,6,8-tetrone
OPENEYE Name: 1,3,7,9-tetramethylpyrimido[5,4-g]pteridine-2,4,6,8-tetrone
IUPAC Name: 1,3,7,9-tetramethylpyrimido[5,4-g]pteridine-2,4,6,8-tetrone
SYSTEMATIC NAME: 1,3,7,9-tetramethylpyrimido[5,4-g]pteridine-2,4,6,8-tetrone
MOLECULAR FORMULA: C12H12N6O4
MOLECULAR WEIGHT: 304.26148
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=C3C(=N2)N(C(=O)N(C3=O)C)C
Structure:

CAS RN: 28027-17-0
CAS Name: 7-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
OPENEYE Name: 7-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
IUPAC Name: 7-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)O
Structure:

CAS RN: 40733-11-7
CAS Name: 5,5-bis(phenylmethylthio)pentane-1,2,3,4-tetrol
OPENEYE Name: 5,5-bis(benzylsulfanyl)pentane-1,2,3,4-tetrol
IUPAC Name: 5,5-bis(benzylsulfanyl)pentane-1,2,3,4-tetrol
SYSTEMATIC NAME: 5,5-bis(phenylmethylsulfanyl)pentane-1,2,3,4-tetrol
MOLECULAR FORMULA: C19H24O4S2
MOLECULAR WEIGHT: 380.52146
SMILES: C1=CC=C(C=C1)CSC(C(C(C(CO)O)O)O)SCC2=CC=CC=C2
Structure:

No comments:

Post a Comment