CAS RN: 7547-88-8
CAS Name: benzo[b]quinolizin-5-ium bromide
OPENEYE Name: benzo[b]quinolizin-5-ium bromide
IUPAC Name: benzo[b]quinolizin-5-ium bromide
SYSTEMATIC NAME: benzo[b]quinolizin-5-ium bromide
MOLECULAR FORMULA: C13H10BrN
MOLECULAR WEIGHT: 260.1292
SMILES: C1=CC=C2C=[N+]3C=CC=CC3=CC2=C1.[Br-]
Structure:
CAS RN: 7542-72-5
CAS Name: 2-(4-fluorophenyl)-2-(4-methyl-1-piperazinyl)ethanol
OPENEYE Name: 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
IUPAC Name: 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
SYSTEMATIC NAME: 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
MOLECULAR FORMULA: C13H19FN2O
MOLECULAR WEIGHT: 238.301163
SMILES: CN1CCN(CC1)C(CO)C2=CC=C(C=C2)F
Structure:
CAS RN: 7538-79-6
CAS Name: N,N,1-trimethyl-4-pyridin-1-iumamine iodide
OPENEYE Name: N,N,1-trimethylpyridin-1-ium-4-amine iodide
IUPAC Name: N,N,1-trimethylpyridin-1-ium-4-amine iodide
SYSTEMATIC NAME: N,N,1-trimethylpyridin-1-ium-4-amine iodide
MOLECULAR FORMULA: C8H13IN2
MOLECULAR WEIGHT: 264.10669
SMILES: C[N+]1=CC=C(C=C1)N(C)C.[I-]
Structure:
CAS RN: 7535-34-4
CAS Name: 6-methylheptan-2-ylhydrazine
OPENEYE Name: 1,5-dimethylhexylhydrazine
IUPAC Name: 6-methylheptan-2-ylhydrazine
SYSTEMATIC NAME: 6-methylheptan-2-yldiazane
MOLECULAR FORMULA: C8H20N2
MOLECULAR WEIGHT: 144.2578
SMILES: CC(C)CCCC(C)NN
Structure:
CAS RN: 7532-60-7
CAS Name: 1-(butylamino)-3-(4-methylanilino)-2-propanol
OPENEYE Name: 1-(butylamino)-3-(4-methylanilino)propan-2-ol
IUPAC Name: 1-(butylamino)-3-(4-methylanilino)propan-2-ol
SYSTEMATIC NAME: 1-(butylamino)-3-[(4-methylphenyl)amino]propan-2-ol
MOLECULAR FORMULA: C14H24N2O
MOLECULAR WEIGHT: 236.35316
SMILES: CCCCNCC(CNC1=CC=C(C=C1)C)O
Structure:
CAS RN: 7532-45-8
CAS Name: 7-[2-hydroxy-3-(1-piperidinyl)propyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-[2-hydroxy-3-(1-piperidyl)propyl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-(2-hydroxy-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-(2-oxidanyl-3-piperidin-1-yl-propyl)purine-2,6-dione
MOLECULAR FORMULA: C15H23N5O3
MOLECULAR WEIGHT: 321.37482
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCCCC3)O
Structure:
CAS RN: 7526-47-8
CAS Name: 1-dibutylphosphoryloxy-4-(2,2,3,3,4,4,4-heptafluorobutyl)benzene
OPENEYE Name: 1-dibutylphosphoryloxy-4-(2,2,3,3,4,4,4-heptafluorobutyl)benzene
IUPAC Name: 1-dibutylphosphoryloxy-4-(2,2,3,3,4,4,4-heptafluorobutyl)benzene
SYSTEMATIC NAME: 1-dibutylphosphoryloxy-4-[2,2,3,3,4,4,4-heptakis(fluoranyl)butyl]benzene
MOLECULAR FORMULA: C18H24F7O2P
MOLECULAR WEIGHT: 436.344543
SMILES: CCCCP(=O)(CCCC)OC1=CC=C(C=C1)CC(C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 7526-46-7
CAS Name: 1-dibutylphosphoryloxy-3-fluorobenzene
OPENEYE Name: 1-dibutylphosphoryloxy-3-fluoro-benzene
IUPAC Name: 1-dibutylphosphoryloxy-3-fluorobenzene
SYSTEMATIC NAME: 1-dibutylphosphoryloxy-3-fluoranyl-benzene
MOLECULAR FORMULA: C14H22FO2P
MOLECULAR WEIGHT: 272.295444
SMILES: CCCCP(=O)(CCCC)OC1=CC(=CC=C1)F
Structure:
CAS RN: 7524-73-4
CAS Name: trimethyl-[[(2R,5R)-5-methyl-4-oxo-2-oxolanyl]methyl]ammonium iodide
OPENEYE Name: trimethyl-[[(2R,5R)-5-methyl-4-oxo-tetrahydrofuran-2-yl]methyl]ammonium iodide
IUPAC Name: trimethyl-[[(2R,5R)-5-methyl-4-oxooxolan-2-yl]methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[[(2R,5R)-5-methyl-4-oxidanylidene-oxolan-2-yl]methyl]azanium iodide
MOLECULAR FORMULA: C9H18INO2
MOLECULAR WEIGHT: 299.14919
SMILES: C[C@@H]1C(=O)C[C@@H](O1)C[N+](C)(C)C.[I-]
Structure:
CAS RN: 7520-51-6
CAS Name: 6-[2-(diethylamino)ethoxy]pyrimidine-2,4-diamine
OPENEYE Name: 6-[2-(diethylamino)ethoxy]pyrimidine-2,4-diamine
IUPAC Name: 6-[2-(diethylamino)ethoxy]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-[2-(diethylamino)ethoxy]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C10H19N5O
MOLECULAR WEIGHT: 225.29076
SMILES: CCN(CC)CCOC1=NC(=NC(=C1)N)N
Structure:
CAS RN: 7520-50-5
CAS Name: 6-[2-(dimethylamino)ethoxy]pyrimidine-2,4-diamine
OPENEYE Name: 6-[2-(dimethylamino)ethoxy]pyrimidine-2,4-diamine
IUPAC Name: 6-[2-(dimethylamino)ethoxy]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-[2-(dimethylamino)ethoxy]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C8H15N5O
MOLECULAR WEIGHT: 197.2376
SMILES: CN(C)CCOC1=NC(=NC(=C1)N)N
Structure:
CAS RN: 7512-24-5
CAS Name: 3-cyclopentyl-3-hydroxy-2-phenylpropanoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 3-cyclopentyl-3-hydroxy-2-phenyl-propanoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 3-cyclopentyl-3-hydroxy-2-phenylpropanoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 3-cyclopentyl-3-oxidanyl-2-phenyl-propanoate hydrochloride
MOLECULAR FORMULA: C20H32ClNO3
MOLECULAR WEIGHT: 369.92598
SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCCC2)O.Cl
Structure:
CAS RN: 7511-80-0
CAS Name: 1-(2,3-dimethoxyphenyl)-N-methyl-2-phenylethanamine hydrochloride
OPENEYE Name: 1-(2,3-dimethoxyphenyl)-N-methyl-2-phenyl-ethanamine hydrochloride
IUPAC Name: 1-(2,3-dimethoxyphenyl)-N-methyl-2-phenylethanamine hydrochloride
SYSTEMATIC NAME: 1-(2,3-dimethoxyphenyl)-N-methyl-2-phenyl-ethanamine hydrochloride
MOLECULAR FORMULA: C17H22ClNO2
MOLECULAR WEIGHT: 307.81508
SMILES: CNC(CC1=CC=CC=C1)C2=C(C(=CC=C2)OC)OC.Cl
Structure:
CAS RN: 7500-05-2
CAS Name: 1-methyl-3-pyridin-1-iumol iodide
OPENEYE Name: 1-methylpyridin-1-ium-3-ol iodide
IUPAC Name: 1-methylpyridin-1-ium-3-ol iodide
SYSTEMATIC NAME: 1-methylpyridin-1-ium-3-ol iodide
MOLECULAR FORMULA: C6H8INO
MOLECULAR WEIGHT: 237.03829
SMILES: C[N+]1=CC=CC(=C1)O.[I-]
Structure:
CAS RN: 40229-93-4
CAS Name: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazole
OPENEYE Name: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazole
IUPAC Name: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C11H9N3O2S
MOLECULAR WEIGHT: 247.27306
SMILES: C1CN2C(=CSC2=N1)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 7496-63-1
CAS Name: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
OPENEYE Name: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
IUPAC Name: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrobromide
SYSTEMATIC NAME: 3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrobromide
MOLECULAR FORMULA: C11H10BrN3O2S
MOLECULAR WEIGHT: 328.185
SMILES: C1CN2C(=CSC2=N1)C3=CC=C(C=C3)[N+](=O)[O-].Br
Structure:
CAS RN: 7482-99-7
CAS Name: 2-[4-[2-(diethylamino)ethoxy]phenyl]-2-prop-2-enyl-4-pentenamide
OPENEYE Name: 2-allyl-2-[4-[2-(diethylamino)ethoxy]phenyl]pent-4-enamide
IUPAC Name: 2-[4-[2-(diethylamino)ethoxy]phenyl]-2-prop-2-enylpent-4-enamide
SYSTEMATIC NAME: 2-[4-[2-(diethylamino)ethoxy]phenyl]-2-prop-2-enyl-pent-4-enamide
MOLECULAR FORMULA: C20H30N2O2
MOLECULAR WEIGHT: 330.4644
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N
Structure:
CAS RN: 7482-98-6
CAS Name: 2-(4-propan-2-yloxyphenyl)-2-prop-2-enyl-4-pentenamide
OPENEYE Name: 2-allyl-2-(4-isopropoxyphenyl)pent-4-enamide
IUPAC Name: 2-(4-propan-2-yloxyphenyl)-2-prop-2-enylpent-4-enamide
SYSTEMATIC NAME: 2-(4-propan-2-yloxyphenyl)-2-prop-2-enyl-pent-4-enamide
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CC(C)OC1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N
Structure:
CAS RN: 7482-97-5
CAS Name: 2-(4-ethoxyphenyl)-2-prop-2-enyl-4-pentenamide
OPENEYE Name: 2-allyl-2-(4-ethoxyphenyl)pent-4-enamide
IUPAC Name: 2-(4-ethoxyphenyl)-2-prop-2-enylpent-4-enamide
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)-2-prop-2-enyl-pent-4-enamide
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CCOC1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N
Structure:
CAS RN: 7482-96-4
CAS Name: 2-(4-hydroxyphenyl)-2-prop-2-enyl-4-pentenamide
OPENEYE Name: 2-allyl-2-(4-hydroxyphenyl)pent-4-enamide
IUPAC Name: 2-(4-hydroxyphenyl)-2-prop-2-enylpent-4-enamide
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-2-prop-2-enyl-pent-4-enamide
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: C=CCC(CC=C)(C1=CC=C(C=C1)O)C(=O)N
Structure:
CAS RN: 7482-95-3
CAS Name: 2-[4-(dimethylamino)phenyl]-2-prop-2-enyl-4-pentenamide hydrochloride
OPENEYE Name: 2-allyl-2-[4-(dimethylamino)phenyl]pent-4-enamide hydrochloride
IUPAC Name: 2-[4-(dimethylamino)phenyl]-2-prop-2-enylpent-4-enamide hydrochloride
SYSTEMATIC NAME: 2-[4-(dimethylamino)phenyl]-2-prop-2-enyl-pent-4-enamide hydrochloride
MOLECULAR FORMULA: C16H23ClN2O
MOLECULAR WEIGHT: 294.81962
SMILES: CN(C)C1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N.Cl
Structure:
CAS RN: 7482-50-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H43N3O2
MOLECULAR WEIGHT: 453.65992
SMILES: CCC1(CCC(C2=CC3=C4C(=CNC4=C21)CC(COC(=O)C(N3C)C(C)C)N)(C)C(C)C)C
Structure:
CAS RN: 7478-43-5
CAS Name: N-[1-(4-methoxyphenyl)-2-phenylethyl]-2-propen-1-amine hydrochloride
OPENEYE Name: N-[1-(4-methoxyphenyl)-2-phenyl-ethyl]prop-2-en-1-amine hydrochloride
IUPAC Name: N-[1-(4-methoxyphenyl)-2-phenylethyl]prop-2-en-1-amine hydrochloride
SYSTEMATIC NAME: N-[1-(4-methoxyphenyl)-2-phenyl-ethyl]prop-2-en-1-amine hydrochloride
MOLECULAR FORMULA: C18H22ClNO
MOLECULAR WEIGHT: 303.82638
SMILES: COC1=CC=C(C=C1)C(CC2=CC=CC=C2)NCC=C.Cl
Structure:
CAS RN: 7477-35-2
CAS Name: 2-[3-(1-cyclohex-3-enyl)-3-hydroxy-1-oxo-2-phenylpropoxy]ethyl-diethyl-methylammonium bromide
OPENEYE Name: 2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenyl-propanoyl)oxyethyl-diethyl-methyl-ammonium bromide
IUPAC Name: 2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl-diethyl-methylazanium bromide
SYSTEMATIC NAME: 2-(3-cyclohex-3-en-1-yl-3-oxidanyl-2-phenyl-propanoyl)oxyethyl-diethyl-methyl-azanium bromide
MOLECULAR FORMULA: C22H34BrNO3
MOLECULAR WEIGHT: 440.41426
SMILES: CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCC=CC2)O.[Br-]
Structure:
CAS RN: 7477-25-0
CAS Name: 3-cyclohexyl-3-hydroxy-2-phenylpropanoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 3-cyclohexyl-3-hydroxy-2-phenyl-propanoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 3-cyclohexyl-3-hydroxy-2-phenylpropanoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 3-cyclohexyl-3-oxidanyl-2-phenyl-propanoate hydrochloride
MOLECULAR FORMULA: C21H34ClNO3
MOLECULAR WEIGHT: 383.95256
SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCCCC2)O.Cl
Structure:
CAS RN: 7477-24-9
CAS Name: 3-(1-cyclohex-3-enyl)-3-hydroxy-2-phenylpropanoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 3-cyclohex-3-en-1-yl-3-hydroxy-2-phenyl-propanoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 3-cyclohex-3-en-1-yl-3-oxidanyl-2-phenyl-propanoate hydrochloride
MOLECULAR FORMULA: C21H32ClNO3
MOLECULAR WEIGHT: 381.93668
SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCC=CC2)O.Cl
Structure:
CAS RN: 7470-43-1
CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)acetic acid ethyl ester iodide
OPENEYE Name: ethyl 2-(3-bromopyridin-1-ium-1-yl)acetate iodide
IUPAC Name: ethyl 2-(3-bromopyridin-1-ium-1-yl)acetate iodide
SYSTEMATIC NAME: ethyl 2-(3-bromanylpyridin-1-ium-1-yl)ethanoate iodide
MOLECULAR FORMULA: C9H11BrINO2
MOLECULAR WEIGHT: 371.99761
SMILES: CCOC(=O)C[N+]1=CC=CC(=C1)Br.[I-]
Structure:
CAS RN: 7454-72-0
CAS Name: 4-bromo-N-(4-methoxyphenyl)benzenesulfonamide
OPENEYE Name: 4-bromo-N-(4-methoxyphenyl)benzenesulfonamide
IUPAC Name: 4-bromo-N-(4-methoxyphenyl)benzenesulfonamide
SYSTEMATIC NAME: 4-bromanyl-N-(4-methoxyphenyl)benzenesulfonamide
MOLECULAR FORMULA: C13H12BrNO3S
MOLECULAR WEIGHT: 342.20828
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 7447-50-9
CAS Name: 2-(4-aminophenyl)-2-prop-2-enyl-4-pentenamide
OPENEYE Name: 2-allyl-2-(4-aminophenyl)pent-4-enamide
IUPAC Name: 2-(4-aminophenyl)-2-prop-2-enylpent-4-enamide
SYSTEMATIC NAME: 2-(4-aminophenyl)-2-prop-2-enyl-pent-4-enamide
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: C=CCC(CC=C)(C1=CC=C(C=C1)N)C(=O)N
Structure:
CAS RN: 7447-45-2
CAS Name: 5,6,8,8a-tetrahydro-1H-thiazolo[4,3-c][1,4]thiazine-3-thione
OPENEYE Name: 5,6,8,8a-tetrahydro-1H-thiazolo[4,3-c][1,4]thiazine-3-thione
IUPAC Name: 5,6,8,8a-tetrahydro-1H-[1,3]thiazolo[4,3-c][1,4]thiazine-3-thione
SYSTEMATIC NAME: 5,6,8,8a-tetrahydro-1H-[1,3]thiazolo[4,3-c][1,4]thiazine-3-thione
MOLECULAR FORMULA: C6H9NS3
MOLECULAR WEIGHT: 191.33736
SMILES: C1CSCC2N1C(=S)SC2
Structure:
CAS RN: 7441-29-4
CAS Name: N,N-dimethyl-2-(4-trimethylsilylphenyl)ethanamine hydrochloride
OPENEYE Name: N,N-dimethyl-2-(4-trimethylsilylphenyl)ethanamine hydrochloride
IUPAC Name: N,N-dimethyl-2-(4-trimethylsilylphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-2-(4-trimethylsilylphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C13H24ClNSi
MOLECULAR WEIGHT: 257.87486
SMILES: CN(C)CCC1=CC=C(C=C1)[Si](C)(C)C.Cl
Structure:
CAS RN: 7436-92-2
CAS Name: N-[2-[[5-methyl-2-(phenylmethyl)-3-pyrazolyl]oxy]ethyl]-N-propyl-1-propanamine
OPENEYE Name: N-[2-(2-benzyl-5-methyl-pyrazol-3-yl)oxyethyl]-N-propyl-propan-1-amine
IUPAC Name: N-[2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl]-N-propylpropan-1-amine
SYSTEMATIC NAME: N-[2-[5-methyl-2-(phenylmethyl)pyrazol-3-yl]oxyethyl]-N-propyl-propan-1-amine
MOLECULAR FORMULA: C19H29N3O
MOLECULAR WEIGHT: 315.45306
SMILES: CCCN(CCC)CCOC1=CC(=NN1CC2=CC=CC=C2)C
Structure:
CAS RN: 7435-94-1
CAS Name: 1-[2-(1-pyrrolidinyl)ethoxymethyl]-2-pyrrolidinone
OPENEYE Name: 1-(2-pyrrolidin-1-ylethoxymethyl)pyrrolidin-2-one
IUPAC Name: 1-(2-pyrrolidin-1-ylethoxymethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(2-pyrrolidin-1-ylethoxymethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: C1CCN(C1)CCOCN2CCCC2=O
Structure:
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