Tuesday, May 29, 2012

http://ChemLookup.com Compounds




CAS RN: 16596-00-2
CAS Name: N,N'-bis(3-chlorophenyl)methanimidamide
OPENEYE Name: N,N'-bis(3-chlorophenyl)formamidine
IUPAC Name: N,N'-bis(3-chlorophenyl)methanimidamide
SYSTEMATIC NAME: N,N'-bis(3-chlorophenyl)methanimidamide
MOLECULAR FORMULA: C13H10Cl2N2
MOLECULAR WEIGHT: 265.1379
SMILES: C1=CC(=CC(=C1)Cl)NC=NC2=CC(=CC=C2)Cl
Structure:

CAS RN: 66838-69-5
CAS Name: 2-(1H-benzimidazol-2-yl)-1-phenylethanone
OPENEYE Name: 2-(1H-benzimidazol-2-yl)-1-phenyl-ethanone
IUPAC Name: 2-(1H-benzimidazol-2-yl)-1-phenylethanone
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)-1-phenyl-ethanone
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: C1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3N2
Structure:

CAS RN: 60657-74-1
CAS Name: 3-(N-methylanilino)-3-oxopropanoic acid
OPENEYE Name: 3-(N-methylanilino)-3-oxo-propanoic acid
IUPAC Name: 3-(N-methylanilino)-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[methyl(phenyl)amino]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CN(C1=CC=CC=C1)C(=O)CC(=O)O
Structure:

CAS RN: 86273-64-5
CAS Name: 2,2,3,3,4,4,4-heptafluoro-N-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]butanamide
OPENEYE Name: 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]butanamide
IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]butanamide
SYSTEMATIC NAME: 2,2,3,3,4,4,4-heptakis(fluoranyl)-N-[2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]ethyl]butanamide
MOLECULAR FORMULA: C10H6F14N2O2
MOLECULAR WEIGHT: 452.144485
SMILES: C(CNC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Structure:

CAS RN: 728-01-8
CAS Name: 2-(1-benzimidazolyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(benzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(benzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: C1=CC=C2C(=C1)N=CN2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 19293-62-0
CAS Name: bis(4-methoxyphenyl)methanamine
OPENEYE Name: bis(4-methoxyphenyl)methanamine
IUPAC Name: bis(4-methoxyphenyl)methanamine
SYSTEMATIC NAME: bis(4-methoxyphenyl)methanamine
MOLECULAR FORMULA: C15H17NO2
MOLECULAR WEIGHT: 243.30098
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N
Structure:

CAS RN: 2538-34-3
CAS Name: (4-methoxyphenyl)-phenylmethanamine
OPENEYE Name: (4-methoxyphenyl)-phenyl-methanamine
IUPAC Name: (4-methoxyphenyl)-phenylmethanamine
SYSTEMATIC NAME: (4-methoxyphenyl)-phenyl-methanamine
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)N
Structure:

CAS RN: 5267-46-9
CAS Name: (4-methoxyphenyl)-phenylmethanamine
OPENEYE Name: (4-methoxyphenyl)-phenyl-methanamine
IUPAC Name: (4-methoxyphenyl)-phenylmethanamine
SYSTEMATIC NAME: (4-methoxyphenyl)-phenyl-methanamine
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)N
Structure:

CAS RN: 55095-17-5
CAS Name: (4-bromophenyl)-phenylmethanamine
OPENEYE Name: (4-bromophenyl)-phenyl-methanamine
IUPAC Name: (4-bromophenyl)-phenylmethanamine
SYSTEMATIC NAME: (4-bromophenyl)-phenyl-methanamine
MOLECULAR FORMULA: C13H12BrN
MOLECULAR WEIGHT: 262.14508
SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N
Structure:

CAS RN: 7746-94-3
CAS Name: 5,5-diphenyl-2-oxolanone
OPENEYE Name: 5,5-diphenyltetrahydrofuran-2-one
IUPAC Name: 5,5-diphenyloxolan-2-one
SYSTEMATIC NAME: 5,5-diphenyloxolan-2-one
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: C1CC(OC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 7305-03-5
CAS Name: N,N-dimethylcarbamic acid (4-chlorophenyl) ester
OPENEYE Name: (4-chlorophenyl) N,N-dimethylcarbamate
IUPAC Name: (4-chlorophenyl) N,N-dimethylcarbamate
SYSTEMATIC NAME: (4-chlorophenyl) N,N-dimethylcarbamate
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: CN(C)C(=O)OC1=CC=C(C=C1)Cl
Structure:

CAS RN: 22718-50-9
CAS Name: 1-piperidinylurea
OPENEYE Name: 1-piperidylurea
IUPAC Name: piperidin-1-ylurea
SYSTEMATIC NAME: 1-piperidin-1-ylurea
MOLECULAR FORMULA: C6H13N3O
MOLECULAR WEIGHT: 143.18692
SMILES: C1CCN(CC1)NC(=O)N
Structure:

CAS RN: 20049-68-7
CAS Name: 1-phenyl-3-(1-piperidinyl)urea
OPENEYE Name: 1-phenyl-3-(1-piperidyl)urea
IUPAC Name: 1-phenyl-3-piperidin-1-ylurea
SYSTEMATIC NAME: 1-phenyl-3-piperidin-1-yl-urea
MOLECULAR FORMULA: C12H17N3O
MOLECULAR WEIGHT: 219.28288
SMILES: C1CCN(CC1)NC(=O)NC2=CC=CC=C2
Structure:

CAS RN: 23545-53-1
CAS Name: 3-(2,2-dimethyl-1-aziridinyl)propanenitrile
OPENEYE Name: 3-(2,2-dimethylaziridin-1-yl)propanenitrile
IUPAC Name: 3-(2,2-dimethylaziridin-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(2,2-dimethylaziridin-1-yl)propanenitrile
MOLECULAR FORMULA: C7H12N2
MOLECULAR WEIGHT: 124.18358
SMILES: CC1(CN1CCC#N)C
Structure:

CAS RN: 23545-55-3
CAS Name: 3-(2,2-dimethyl-1-aziridinyl)-1-propanamine
OPENEYE Name: 3-(2,2-dimethylaziridin-1-yl)propan-1-amine
IUPAC Name: 3-(2,2-dimethylaziridin-1-yl)propan-1-amine
SYSTEMATIC NAME: 3-(2,2-dimethylaziridin-1-yl)propan-1-amine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CC1(CN1CCCN)C
Structure:

CAS RN: 79071-17-3
CAS Name: 2-chloro-6-ethoxy-1,3-benzothiazole
OPENEYE Name: 2-chloro-6-ethoxy-1,3-benzothiazole
IUPAC Name: 2-chloro-6-ethoxy-1,3-benzothiazole
SYSTEMATIC NAME: 2-chloranyl-6-ethoxy-1,3-benzothiazole
MOLECULAR FORMULA: C9H8ClNOS
MOLECULAR WEIGHT: 213.68392
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)Cl
Structure:

CAS RN: 4663-84-7
CAS Name: N-(1-piperidinyl)carbamic acid ethyl ester
OPENEYE Name: ethyl N-(1-piperidyl)carbamate
IUPAC Name: ethyl N-piperidin-1-ylcarbamate
SYSTEMATIC NAME: ethyl N-piperidin-1-ylcarbamate
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CCOC(=O)NN1CCCCC1
Structure:

CAS RN: 19152-86-4
CAS Name: 6,7,8,9-tetrahydrobenzo[g]pteridine-2,4-diamine
OPENEYE Name: 6,7,8,9-tetrahydrobenzo[g]pteridine-2,4-diamine
IUPAC Name: 6,7,8,9-tetrahydrobenzo[g]pteridine-2,4-diamine
SYSTEMATIC NAME: 6,7,8,9-tetrahydrobenzo[g]pteridine-2,4-diamine
MOLECULAR FORMULA: C10H12N6
MOLECULAR WEIGHT: 216.24248
SMILES: C1CCC2=NC3=C(C(=NC(=N3)N)N)N=C2C1
Structure:

CAS RN: 35665-58-8
CAS Name: 5-[6-(dimethylamino)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C12H17N5O3
MOLECULAR WEIGHT: 279.29508
SMILES: CN(C)C1=NC=NC2=C1N=CN2C3CC(C(O3)CO)O
Structure:

CAS RN: 5944-27-4
CAS Name: 3,7-dimethyloctanoic acid ethyl ester
OPENEYE Name: ethyl 3,7-dimethyloctanoate
IUPAC Name: ethyl 3,7-dimethyloctanoate
SYSTEMATIC NAME: ethyl 3,7-dimethyloctanoate
MOLECULAR FORMULA: C12H24O2
MOLECULAR WEIGHT: 200.31776
SMILES: CCOC(=O)CC(C)CCCC(C)C
Structure:

CAS RN: 79356-95-9
CAS Name: 6-methylheptane-2,4-diol
OPENEYE Name: 6-methylheptane-2,4-diol
IUPAC Name: 6-methylheptane-2,4-diol
SYSTEMATIC NAME: 6-methylheptane-2,4-diol
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CC(C)CC(CC(C)O)O
Structure:

CAS RN: 34106-07-5
CAS Name: acetic acid (5-acetyloxy-2,5-dimethylhex-3-yn-2-yl) ester
OPENEYE Name: (4-acetoxy-1,1,4-trimethyl-pent-2-ynyl) acetate
IUPAC Name: (5-acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate
SYSTEMATIC NAME: (5-acetyloxy-2,5-dimethyl-hex-3-yn-2-yl) ethanoate
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CC(=O)OC(C)(C)C#CC(C)(C)OC(=O)C
Structure:

CAS RN: 868-04-2
CAS Name: 2-cyano-3-ethyl-2-pentenoic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-3-ethyl-pent-2-enoate
IUPAC Name: ethyl 2-cyano-3-ethylpent-2-enoate
SYSTEMATIC NAME: ethyl 2-cyano-3-ethyl-pent-2-enoate
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CCC(=C(C#N)C(=O)OCC)CC
Structure:

CAS RN: 34900-11-3
CAS Name: 2-hydroxy-2-methylpropanoic acid cyclohexyl ester
OPENEYE Name: cyclohexyl 2-hydroxy-2-methyl-propanoate
IUPAC Name: cyclohexyl 2-hydroxy-2-methylpropanoate
SYSTEMATIC NAME: cyclohexyl 2-methyl-2-oxidanyl-propanoate
MOLECULAR FORMULA: C10H18O3
MOLECULAR WEIGHT: 186.24812
SMILES: CC(C)(C(=O)OC1CCCCC1)O
Structure:

CAS RN: 23359-01-5
CAS Name: 2,5-dimethyl-3-hexene-2,5-diol
OPENEYE Name: 2,5-dimethylhex-3-ene-2,5-diol
IUPAC Name: 2,5-dimethylhex-3-ene-2,5-diol
SYSTEMATIC NAME: 2,5-dimethylhex-3-ene-2,5-diol
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CC(C)(C=CC(C)(C)O)O
Structure:

CAS RN: 4480-47-1
CAS Name: 3,3-dimethyl-2-oxobutanal
OPENEYE Name: 3,3-dimethyl-2-oxo-butanal
IUPAC Name: 3,3-dimethyl-2-oxobutanal
SYSTEMATIC NAME: 3,3-dimethyl-2-oxidanylidene-butanal
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CC(C)(C)C(=O)C=O
Structure:

CAS RN: 25347-94-8
CAS Name: 1-tert-butyl-3-methylurea
OPENEYE Name: 1-tert-butyl-3-methyl-urea
IUPAC Name: 1-tert-butyl-3-methylurea
SYSTEMATIC NAME: 1-tert-butyl-3-methyl-urea
MOLECULAR FORMULA: C6H14N2O
MOLECULAR WEIGHT: 130.18816
SMILES: CC(C)(C)NC(=O)NC
Structure:

CAS RN: 29102-72-5
CAS Name: 1-(3-bromopropoxy)-2,4,5-trichlorobenzene
OPENEYE Name: 1-(3-bromopropoxy)-2,4,5-trichloro-benzene
IUPAC Name: 1-(3-bromopropoxy)-2,4,5-trichlorobenzene
SYSTEMATIC NAME: 1-(3-bromanylpropoxy)-2,4,5-tris(chloranyl)benzene
MOLECULAR FORMULA: C9H8BrCl3O
MOLECULAR WEIGHT: 318.42222
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCCCBr
Structure:

CAS RN: 93787-16-7
CAS Name: N-cyclohexyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
OPENEYE Name: N-cyclohexyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
IUPAC Name: N-cyclohexyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
SYSTEMATIC NAME: N-cyclohexyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
MOLECULAR FORMULA: C10H13N5S
MOLECULAR WEIGHT: 235.30872
SMILES: C1CCC(CC1)NC2=NC=NC3=NSN=C32
Structure:

CAS RN: 52511-48-5
CAS Name: N-methylcarbamothioic acid S-[2-(methylcarbamoylamino)ethyl] ester
OPENEYE Name: S-[2-(methylcarbamoylamino)ethyl] N-methylcarbamothioate
IUPAC Name: S-[2-(methylcarbamoylamino)ethyl] N-methylcarbamothioate
SYSTEMATIC NAME: S-[2-(methylcarbamoylamino)ethyl] N-methylcarbamothioate
MOLECULAR FORMULA: C6H13N3O2S
MOLECULAR WEIGHT: 191.25132
SMILES: CNC(=O)NCCSC(=O)NC
Structure:

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