CAS RN: 5137-97-3
CAS Name: N-[2-(diethylamino)ethyl]hexadecanamide
OPENEYE Name: N-[2-(diethylamino)ethyl]hexadecanamide
IUPAC Name: N-[2-(diethylamino)ethyl]hexadecanamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]hexadecanamide
MOLECULAR FORMULA: C22H46N2O
MOLECULAR WEIGHT: 354.61344
SMILES: CCCCCCCCCCCCCCCC(=O)NCCN(CC)CC
Structure:
CAS RN: 405923-50-4
CAS Name: 8-(1,2,3,4,7,7-hexachloro-6-octyl-5-bicyclo[2.2.1]hept-2-enyl)-N-(phenylmethyl)octanamide
OPENEYE Name: N-benzyl-8-(1,2,3,4,7,7-hexachloro-6-octyl-5-bicyclo[2.2.1]hept-2-enyl)octanamide
IUPAC Name: N-benzyl-8-(1,2,3,4,7,7-hexachloro-6-octyl-5-bicyclo[2.2.1]hept-2-enyl)octanamide
SYSTEMATIC NAME: 8-[1,2,3,4,7,7-hexakis(chloranyl)-6-octyl-5-bicyclo[2.2.1]hept-2-enyl]-N-(phenylmethyl)octanamide
MOLECULAR FORMULA: C30H41Cl6NO
MOLECULAR WEIGHT: 644.37064
SMILES: CCCCCCCCC1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CCCCCCCC(=O)NCC3=CC=CC=C3
Structure:
CAS RN: 26180-29-0
CAS Name: 1-(3-azabicyclo[3.2.2]nonan-3-yl)-8-(1,2,3,4,7,7-hexachloro-6-octyl-5-bicyclo[2.2.1]hept-2-enyl)-1-octanone
OPENEYE Name: 1-(3-azabicyclo[3.2.2]nonan-3-yl)-8-(1,2,3,4,7,7-hexachloro-6-octyl-5-bicyclo[2.2.1]hept-2-enyl)octan-1-one
IUPAC Name: 1-(3-azabicyclo[3.2.2]nonan-3-yl)-8-(1,2,3,4,7,7-hexachloro-6-octyl-5-bicyclo[2.2.1]hept-2-enyl)octan-1-one
SYSTEMATIC NAME: 1-(3-azabicyclo[3.2.2]nonan-3-yl)-8-[1,2,3,4,7,7-hexakis(chloranyl)-6-octyl-5-bicyclo[2.2.1]hept-2-enyl]octan-1-one
MOLECULAR FORMULA: C31H47Cl6NO
MOLECULAR WEIGHT: 662.42898
SMILES: CCCCCCCCC1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CCCCCCCC(=O)N3CC4CCC(C3)CC4
Structure:
CAS RN: 60091-03-4
CAS Name: 1-(4-methyl-1-piperazinyl)-10-undecen-1-one
OPENEYE Name: 1-(4-methylpiperazin-1-yl)undec-10-en-1-one
IUPAC Name: 1-(4-methylpiperazin-1-yl)undec-10-en-1-one
SYSTEMATIC NAME: 1-(4-methylpiperazin-1-yl)undec-10-en-1-one
MOLECULAR FORMULA: C16H30N2O
MOLECULAR WEIGHT: 266.4222
SMILES: CN1CCN(CC1)C(=O)CCCCCCCCC=C
Structure:
CAS RN: 174197-07-0
CAS Name: 9,10-dichloro-N,N-dimethyloctadecanamide
OPENEYE Name: 9,10-dichloro-N,N-dimethyl-octadecanamide
IUPAC Name: 9,10-dichloro-N,N-dimethyloctadecanamide
SYSTEMATIC NAME: 9,10-bis(chloranyl)-N,N-dimethyl-octadecanamide
MOLECULAR FORMULA: C20H39Cl2NO
MOLECULAR WEIGHT: 380.43576
SMILES: CCCCCCCCC(C(CCCCCCCC(=O)N(C)C)Cl)Cl
Structure:
CAS RN: 501-34-8
CAS Name: 1-(4-morpholinyl)-8-(3-octyl-2-thiiranyl)-1-octanone
OPENEYE Name: 1-morpholino-8-(3-octylthiiran-2-yl)octan-1-one
IUPAC Name: 1-morpholin-4-yl-8-(3-octylthiiran-2-yl)octan-1-one
SYSTEMATIC NAME: 1-morpholin-4-yl-8-(3-octylthiiran-2-yl)octan-1-one
MOLECULAR FORMULA: C22H41NO2S
MOLECULAR WEIGHT: 383.63144
SMILES: CCCCCCCCC1C(S1)CCCCCCCC(=O)N2CCOCC2
Structure:
CAS RN: 30316-18-8
CAS Name: 10-bromo-4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
OPENEYE Name: 10-bromo-4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
IUPAC Name: 10-bromo-4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
SYSTEMATIC NAME: 4-azanylidene-10-bromanyl-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
MOLECULAR FORMULA: C9H6BrN7
MOLECULAR WEIGHT: 292.09484
SMILES: C1=CC2=C(C=C1Br)C3=NC(=NC(=N)N3N=N2)N
Structure:
CAS RN: 30101-70-3
CAS Name: 4-imino-10-methyl-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
OPENEYE Name: 4-imino-10-methyl-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
IUPAC Name: 4-imino-10-methyl-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
SYSTEMATIC NAME: 4-azanylidene-10-methyl-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
MOLECULAR FORMULA: C10H9N7
MOLECULAR WEIGHT: 227.22536
SMILES: CC1=CC2=C(C=C1)N=NN3C2=NC(=NC3=N)N
Structure:
CAS RN: 15601-85-1
CAS Name: 3-(2-phenylethyl)-1,2,3-benzotriazin-4-one
OPENEYE Name: 3-(2-phenylethyl)-1,2,3-benzotriazin-4-one
IUPAC Name: 3-(2-phenylethyl)-1,2,3-benzotriazin-4-one
SYSTEMATIC NAME: 3-(2-phenylethyl)-1,2,3-benzotriazin-4-one
MOLECULAR FORMULA: C15H13N3O
MOLECULAR WEIGHT: 251.28322
SMILES: C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=N2
Structure:
CAS RN: 94583-15-0
CAS Name: 1-methyl-4-[(4-nitrophenyl)sulfonylthio]benzene
OPENEYE Name: 1-methyl-4-(4-nitrophenyl)sulfonylsulfanyl-benzene
IUPAC Name: 1-methyl-4-(4-nitrophenyl)sulfonylsulfanylbenzene
SYSTEMATIC NAME: 1-methyl-4-(4-nitrophenyl)sulfonylsulfanyl-benzene
MOLECULAR FORMULA: C13H11NO4S2
MOLECULAR WEIGHT: 309.36074
SMILES: CC1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 14752-66-0
CAS Name: 4-chlorobenzenesulfinate
OPENEYE Name: 4-chlorobenzenesulfinate
IUPAC Name: 4-chlorobenzenesulfinate
SYSTEMATIC NAME: 4-chloranylbenzenesulfinate
MOLECULAR FORMULA: C6H4ClO2S-
MOLECULAR WEIGHT: 175.61276
SMILES: C1=CC(=CC=C1S(=O)[O-])Cl
Structure:
CAS RN: 37556-50-6
CAS Name: 2-(methylsulfonylthio)benzoic acid
OPENEYE Name: 2-methylsulfonylsulfanylbenzoic acid
IUPAC Name: 2-methylsulfonylsulfanylbenzoic acid
SYSTEMATIC NAME: 2-methylsulfonylsulfanylbenzoic acid
MOLECULAR FORMULA: C8H8O4S2
MOLECULAR WEIGHT: 232.27672
SMILES: CS(=O)(=O)SC1=CC=CC=C1C(=O)O
Structure:
CAS RN: 43127-23-7
CAS Name: 2-[(4-hydroxyphenyl)thio]acetic acid
OPENEYE Name: 2-(4-hydroxyphenyl)sulfanylacetic acid
IUPAC Name: 2-(4-hydroxyphenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)sulfanylethanoic acid
MOLECULAR FORMULA: C8H8O3S
MOLECULAR WEIGHT: 184.21232
SMILES: C1=CC(=CC=C1O)SCC(=O)O
Structure:
CAS RN: 58922-31-9
CAS Name: 3-diethoxyphosphorylprop-1-enylbenzene
OPENEYE Name: 3-diethoxyphosphorylprop-1-enylbenzene
IUPAC Name: 3-diethoxyphosphorylprop-1-enylbenzene
SYSTEMATIC NAME: 3-diethoxyphosphorylprop-1-enylbenzene
MOLECULAR FORMULA: C13H19O3P
MOLECULAR WEIGHT: 254.261921
SMILES: CCOP(=O)(CC=CC1=CC=CC=C1)OCC
Structure:
CAS RN: 13970-39-3
CAS Name: 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
OPENEYE Name: 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
IUPAC Name: 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SYSTEMATIC NAME: 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
MOLECULAR FORMULA: C8H9N3O
MOLECULAR WEIGHT: 163.17656
SMILES: CC(=O)N1CC2=CN=CN=C2C1
Structure:
CAS RN: 16134-78-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC12C(C3(C1(O3)C)C)(C4(C2(O4)C)C)C
Structure:
CAS RN: 5257-24-9
CAS Name: 3-methyl-1H-indole-2-carboxaldehyde
OPENEYE Name: 3-methyl-1H-indole-2-carbaldehyde
IUPAC Name: 3-methyl-1H-indole-2-carbaldehyde
SYSTEMATIC NAME: 3-methyl-1H-indole-2-carbaldehyde
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=C(NC2=CC=CC=C12)C=O
Structure:
CAS RN: 21237-58-1
CAS Name: 2-[2-(2-pyridinyl)-1H-indol-3-yl]acetonitrile
OPENEYE Name: 2-[2-(2-pyridyl)-1H-indol-3-yl]acetonitrile
IUPAC Name: 2-(2-pyridin-2-yl-1H-indol-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanenitrile
MOLECULAR FORMULA: C15H11N3
MOLECULAR WEIGHT: 233.26794
SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=CC=CC=N3)CC#N
Structure:
CAS RN: 93285-99-5
CAS Name: 2-[2-(2-pyridinyl)-1H-indol-3-yl]acetic acid
OPENEYE Name: 2-[2-(2-pyridyl)-1H-indol-3-yl]acetic acid
IUPAC Name: 2-(2-pyridin-2-yl-1H-indol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanoic acid
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=CC=CC=N3)CC(=O)O
Structure:
CAS RN: 2965-64-2
CAS Name: 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: 1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: 1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H13FO2
MOLECULAR WEIGHT: 256.271623
SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 520-65-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H27NO6
MOLECULAR WEIGHT: 353.41008
SMILES: CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)O)C
Structure:
CAS RN: 22274-87-9
CAS Name: 3-[2-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazole-2-thione
OPENEYE Name: 3-[2-[2-(2-thioxo-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazole-2-thione
IUPAC Name: 3-[2-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 3-[2-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C18H16N2S6
MOLECULAR WEIGHT: 452.72304
SMILES: C1=CC=C2C(=C1)N(C(=S)S2)CCSSCCN3C4=CC=CC=C4SC3=S
Structure:
CAS RN: 18331-47-0
CAS Name: 3-[2-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazol-2-one
OPENEYE Name: 3-[2-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazol-2-one
IUPAC Name: 3-[2-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazol-2-one
SYSTEMATIC NAME: 3-[2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazol-2-one
MOLECULAR FORMULA: C18H16N2O2S4
MOLECULAR WEIGHT: 420.59184
SMILES: C1=CC=C2C(=C1)N(C(=O)S2)CCSSCCN3C4=CC=CC=C4SC3=O
Structure:
CAS RN: 37828-19-6
CAS Name: 1-phenyl-1-cyclobutanecarboxylic acid
OPENEYE Name: 1-phenylcyclobutanecarboxylic acid
IUPAC Name: 1-phenylcyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 1-phenylcyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: C1CC(C1)(C2=CC=CC=C2)C(=O)O
Structure:
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