CAS RN: 30448-16-9
CAS Name: 7-methyl-1H-indole-3-carboxylic acid
OPENEYE Name: 7-methyl-1H-indole-3-carboxylic acid
IUPAC Name: 7-methyl-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 7-methyl-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CC1=CC=CC2=C1NC=C2C(=O)O
Structure:
CAS RN: 132431-09-5
CAS Name: N-(4-piperidinylmethyl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(4-piperidylmethyl)carbamate
IUPAC Name: benzyl N-(piperidin-4-ylmethyl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(piperidin-4-ylmethyl)carbamate
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: C1CNCCC1CNC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 160142-25-6
CAS Name: 2-(2-methoxypropan-2-yl)pyrrolidine
OPENEYE Name: 2-(1-methoxy-1-methyl-ethyl)pyrrolidine
IUPAC Name: 2-(2-methoxypropan-2-yl)pyrrolidine
SYSTEMATIC NAME: 2-(2-methoxypropan-2-yl)pyrrolidine
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CC(C)(C1CCCN1)OC
Structure:
CAS RN: 123148-78-7
CAS Name: 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
OPENEYE Name: 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name: 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-5-iodanyl-7H-pyrrolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C6H3ClIN3
MOLECULAR WEIGHT: 279.46559
SMILES: C1=C(C2=C(N1)N=CN=C2Cl)I
Structure:
CAS RN: 7734-92-1
CAS Name: (3R)-8-hydroxy-3,5-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one
OPENEYE Name: (3R)-8-hydroxy-3,5-dimethyl-isochroman-1-one
IUPAC Name: (3R)-8-hydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
SYSTEMATIC NAME: (3R)-3,5-dimethyl-8-oxidanyl-3,4-dihydroisochromen-1-one
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C[C@@H]1CC2=C(C=CC(=C2C(=O)O1)O)C
Structure:
CAS RN: 99623-12-8
CAS Name: N'-hydroxycyclopentanecarboximidamide
OPENEYE Name: N'-hydroxycyclopentanecarboxamidine
IUPAC Name: N'-hydroxycyclopentanecarboximidamide
SYSTEMATIC NAME: N'-oxidanylcyclopentanecarboximidamide
MOLECULAR FORMULA: C6H12N2O
MOLECULAR WEIGHT: 128.17228
SMILES: C1CCC(C1)/C(=N/O)/N
Structure:
CAS RN: 127049-87-0
CAS Name: 1-bromo-2,4-dichloro-3-methylbenzene
OPENEYE Name: 1-bromo-2,4-dichloro-3-methyl-benzene
IUPAC Name: 1-bromo-2,4-dichloro-3-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-2,4-bis(chloranyl)-3-methyl-benzene
MOLECULAR FORMULA: C7H5BrCl2
MOLECULAR WEIGHT: 239.9246
SMILES: CC1=C(C=CC(=C1Cl)Br)Cl
Structure:
CAS RN: 127168-88-1
CAS Name: 5-methoxy-2,3-dihydro-1H-isoindole
OPENEYE Name: 5-methoxyisoindoline
IUPAC Name: 5-methoxy-2,3-dihydro-1H-isoindole
SYSTEMATIC NAME: 5-methoxy-2,3-dihydro-1H-isoindole
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: COC1=CC2=C(CNC2)C=C1
Structure:
CAS RN: 127168-84-7
CAS Name: 5-bromo-2,3-dihydro-1H-isoindole
OPENEYE Name: 5-bromoisoindoline
IUPAC Name: 5-bromo-2,3-dihydro-1H-isoindole
SYSTEMATIC NAME: 5-bromanyl-2,3-dihydro-1H-isoindole
MOLECULAR FORMULA: C8H8BrN
MOLECULAR WEIGHT: 198.05982
SMILES: C1C2=C(CN1)C=C(C=C2)Br
Structure:
CAS RN: 127168-81-4
CAS Name: 4-bromo-2,3-dihydro-1H-isoindole
OPENEYE Name: 4-bromoisoindoline
IUPAC Name: 4-bromo-2,3-dihydro-1H-isoindole
SYSTEMATIC NAME: 4-bromanyl-2,3-dihydro-1H-isoindole
MOLECULAR FORMULA: C8H8BrN
MOLECULAR WEIGHT: 198.05982
SMILES: C1C2=C(CN1)C(=CC=C2)Br
Structure:
CAS RN: 57584-71-1
CAS Name: 5-fluoro-2,3-dihydro-1H-isoindole
OPENEYE Name: 5-fluoroisoindoline
IUPAC Name: 5-fluoro-2,3-dihydro-1H-isoindole
SYSTEMATIC NAME: 5-fluoranyl-2,3-dihydro-1H-isoindole
MOLECULAR FORMULA: C8H8FN
MOLECULAR WEIGHT: 137.154223
SMILES: C1C2=C(CN1)C=C(C=C2)F
Structure:
CAS RN: 127168-78-9
CAS Name: 4-fluoro-2,3-dihydro-1H-isoindole
OPENEYE Name: 4-fluoroisoindoline
IUPAC Name: 4-fluoro-2,3-dihydro-1H-isoindole
SYSTEMATIC NAME: 4-fluoranyl-2,3-dihydro-1H-isoindole
MOLECULAR FORMULA: C8H8FN
MOLECULAR WEIGHT: 137.154223
SMILES: C1C2=C(CN1)C(=CC=C2)F
Structure:
CAS RN: 127168-76-7
CAS Name: 5-chloro-2,3-dihydro-1H-isoindole
OPENEYE Name: 5-chloroisoindoline
IUPAC Name: 5-chloro-2,3-dihydro-1H-isoindole
SYSTEMATIC NAME: 5-chloranyl-2,3-dihydro-1H-isoindole
MOLECULAR FORMULA: C8H8ClN
MOLECULAR WEIGHT: 153.60882
SMILES: C1C2=C(CN1)C=C(C=C2)Cl
Structure:
CAS RN: 118924-03-1
CAS Name: 2,3-dihydro-1H-isoindol-4-ol
OPENEYE Name: isoindolin-4-ol
IUPAC Name: 2,3-dihydro-1H-isoindol-4-ol
SYSTEMATIC NAME: 2,3-dihydro-1H-isoindol-4-ol
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: C1C2=C(CN1)C(=CC=C2)O
Structure:
CAS RN: 92203-86-6
CAS Name: 2,3-dihydro-1H-isoindol-4-amine
OPENEYE Name: isoindolin-4-amine
IUPAC Name: 2,3-dihydro-1H-isoindol-4-amine
SYSTEMATIC NAME: 2,3-dihydro-1H-isoindol-4-amine
MOLECULAR FORMULA: C8H10N2
MOLECULAR WEIGHT: 134.1784
SMILES: C1C2=C(CN1)C(=CC=C2)N
Structure:
CAS RN: 39742-63-7
CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-4-piperidinone
OPENEYE Name: 1-[2-(4-methoxyphenyl)ethyl]piperidin-4-one
IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]piperidin-4-one
SYSTEMATIC NAME: 1-[2-(4-methoxyphenyl)ethyl]piperidin-4-one
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: COC1=CC=C(C=C1)CCN2CCC(=O)CC2
Structure:
CAS RN: 35180-01-9
CAS Name: carbonic acid chloromethyl propan-2-yl ester
OPENEYE Name: chloromethyl isopropyl carbonate
IUPAC Name: chloromethyl propan-2-yl carbonate
SYSTEMATIC NAME: chloromethyl propan-2-yl carbonate
MOLECULAR FORMULA: C5H9ClO3
MOLECULAR WEIGHT: 152.57616
SMILES: CC(C)OC(=O)OCCl
Structure:
CAS RN: 65373-52-6
CAS Name: 2-oxazolecarboxaldehyde
OPENEYE Name: oxazole-2-carbaldehyde
IUPAC Name: 1,3-oxazole-2-carbaldehyde
SYSTEMATIC NAME: 1,3-oxazole-2-carbaldehyde
MOLECULAR FORMULA: C4H3NO2
MOLECULAR WEIGHT: 97.07212
SMILES: C1=COC(=N1)C=O
Structure:
CAS RN: 104608-42-6
CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-2-oxazolidinone
OPENEYE Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]oxazolidin-2-one
IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C19H19N2O4PS
MOLECULAR WEIGHT: 402.403921
SMILES: CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCOC4=O
Structure:
CAS RN: 101870-22-8
CAS Name: 2-propoxypyridine
OPENEYE Name: 2-propoxypyridine
IUPAC Name: 2-propoxypyridine
SYSTEMATIC NAME: 2-propoxypyridine
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CCCOC1=CC=CC=N1
Structure:
CAS RN: 1287-13-4
CAS Name: 9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-hydroxyphenyl)thio]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
OPENEYE Name: 9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
IUPAC Name: 9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: 9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-(4-hydroxyphenyl)sulfanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C27H24O8S
MOLECULAR WEIGHT: 508.53966
SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)SC6=CC=C(C=C6)O
Structure:
CAS RN: 287114-25-4
CAS Name: N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
IUPAC Name: tert-butyl N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)N2
Structure:
CAS RN: 132234-68-5
CAS Name: N-(8-azabicyclo[3.2.1]octan-3-yl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate
IUPAC Name: tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CC(C)(C)OC(=O)NC1CC2CCC(C1)N2
Structure:
CAS RN: 89180-45-0
CAS Name: 5-chloro-1H-pyrazin-2-one
OPENEYE Name: 5-chloro-1H-pyrazin-2-one
IUPAC Name: 5-chloro-1H-pyrazin-2-one
SYSTEMATIC NAME: 5-chloranyl-1H-pyrazin-2-one
MOLECULAR FORMULA: C4H3ClN2O
MOLECULAR WEIGHT: 130.53242
SMILES: C1=C(N=CC(=O)N1)Cl
Structure:
CAS RN: 128273-52-9
CAS Name: 1-(isothiocyanatomethyl)-4-(trifluoromethoxy)benzene
OPENEYE Name: 1-(isothiocyanatomethyl)-4-(trifluoromethoxy)benzene
IUPAC Name: 1-(isothiocyanatomethyl)-4-(trifluoromethoxy)benzene
SYSTEMATIC NAME: 1-(isothiocyanatomethyl)-4-(trifluoromethyloxy)benzene
MOLECULAR FORMULA: C9H6F3NOS
MOLECULAR WEIGHT: 233.21025
SMILES: C1=CC(=CC=C1CN=C=S)OC(F)(F)F
Structure:
CAS RN: 33070-31-4
CAS Name: 5-bromo-2,2-dichloro-1,3-benzodioxole
OPENEYE Name: 5-bromo-2,2-dichloro-1,3-benzodioxole
IUPAC Name: 5-bromo-2,2-dichloro-1,3-benzodioxole
SYSTEMATIC NAME: 5-bromanyl-2,2-bis(chloranyl)-1,3-benzodioxole
MOLECULAR FORMULA: C7H3BrCl2O2
MOLECULAR WEIGHT: 269.90752
SMILES: C1=CC2=C(C=C1Br)OC(O2)(Cl)Cl
Structure:
CAS RN: 111721-75-6
CAS Name: 2-bromo-3-fluoroaniline
OPENEYE Name: 2-bromo-3-fluoro-aniline
IUPAC Name: 2-bromo-3-fluoroaniline
SYSTEMATIC NAME: 2-bromanyl-3-fluoranyl-aniline
MOLECULAR FORMULA: C6H5BrFN
MOLECULAR WEIGHT: 190.013003
SMILES: C1=CC(=C(C(=C1)F)Br)N
Structure:
CAS RN: 17355-09-8
CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid
OPENEYE Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acid
IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CC(C)C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N
Structure:
CAS RN: 121107-16-2
CAS Name: methyl(trioctyl)ammonium; 2,2,2-trifluoroacetate
OPENEYE Name: methyl(trioctyl)ammonium; 2,2,2-trifluoroacetate
IUPAC Name: methyl(trioctyl)azanium; 2,2,2-trifluoroacetate
SYSTEMATIC NAME: methyl(trioctyl)azanium; 2,2,2-tris(fluoranyl)ethanoate
MOLECULAR FORMULA: C27H54F3NO2
MOLECULAR WEIGHT: 481.71837
SMILES: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C(=O)(C(F)(F)F)[O-]
Structure:
CAS RN: 80479-64-7
CAS Name: 1-(ethylamino)-3-(2-nitro-1-imidazolyl)-2-propanol hydrochloride
OPENEYE Name: 1-(ethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride
IUPAC Name: 1-(ethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(ethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride
MOLECULAR FORMULA: C8H15ClN4O3
MOLECULAR WEIGHT: 250.6827
SMILES: CCNCC(CN1C=CN=C1[N+](=O)[O-])O.Cl
Structure:
CAS RN: 58734-57-9
CAS Name: 3-methoxybenzenesulfonamide
OPENEYE Name: 3-methoxybenzenesulfonamide
IUPAC Name: 3-methoxybenzenesulfonamide
SYSTEMATIC NAME: 3-methoxybenzenesulfonamide
MOLECULAR FORMULA: C7H9NO3S
MOLECULAR WEIGHT: 187.21626
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N
Structure:
CAS RN: 127356-33-6
CAS Name: 2-bromo-5-methoxy-6-(methylthio)-3-nitropyridine
OPENEYE Name: 2-bromo-5-methoxy-6-methylsulfanyl-3-nitro-pyridine
IUPAC Name: 2-bromo-5-methoxy-6-methylsulfanyl-3-nitropyridine
SYSTEMATIC NAME: 2-bromanyl-5-methoxy-6-methylsulfanyl-3-nitro-pyridine
MOLECULAR FORMULA: C7H7BrN2O3S
MOLECULAR WEIGHT: 279.11108
SMILES: COC1=C(N=C(C(=C1)[N+](=O)[O-])Br)SC
Structure:
CAS RN: 131747-62-1
CAS Name: 3-(trifluoromethyl)-2-pyridinecarboxaldehyde
OPENEYE Name: 3-(trifluoromethyl)pyridine-2-carbaldehyde
IUPAC Name: 3-(trifluoromethyl)pyridine-2-carbaldehyde
SYSTEMATIC NAME: 3-(trifluoromethyl)pyridine-2-carbaldehyde
MOLECULAR FORMULA: C7H4F3NO
MOLECULAR WEIGHT: 175.10797
SMILES: C1=CC(=C(N=C1)C=O)C(F)(F)F
Structure:
CAS RN: 131747-55-2
CAS Name: (2-fluoro-3-pyridinyl)methanol
OPENEYE Name: (2-fluoro-3-pyridyl)methanol
IUPAC Name: (2-fluoropyridin-3-yl)methanol
SYSTEMATIC NAME: (2-fluoranylpyridin-3-yl)methanol
MOLECULAR FORMULA: C6H6FNO
MOLECULAR WEIGHT: 127.116343
SMILES: C1=CC(=C(N=C1)F)CO
Structure:
CAS RN: 98197-88-7
CAS Name: (4-nitro-2-pyridinyl)methanol
OPENEYE Name: (4-nitro-2-pyridyl)methanol
IUPAC Name: (4-nitropyridin-2-yl)methanol
SYSTEMATIC NAME: (4-nitropyridin-2-yl)methanol
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: C1=CN=C(C=C1[N+](=O)[O-])CO
Structure:
CAS RN: 131747-42-7
CAS Name: 6-(trifluoromethyl)-2-pyridinecarboxylic acid
OPENEYE Name: 6-(trifluoromethyl)pyridine-2-carboxylic acid
IUPAC Name: 6-(trifluoromethyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-(trifluoromethyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C7H4F3NO2
MOLECULAR WEIGHT: 191.10737
SMILES: C1=CC(=NC(=C1)C(F)(F)F)C(=O)O
Structure:
No comments:
Post a Comment