CAS RN: 2300-03-0
CAS Name: (6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6-fluoro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6-fluoro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6-fluoro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8S,9S,10R,13S,14S,17S)-17-ethanoyl-6-fluoranyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29FO2
MOLECULAR WEIGHT: 332.452163
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)F)C
Structure:
CAS RN: 22205-05-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO
MOLECULAR WEIGHT: 321.88472
SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl
Structure:
CAS RN: 2276-52-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO
MOLECULAR WEIGHT: 321.88472
SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl
Structure:
CAS RN: 23559-80-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO
MOLECULAR WEIGHT: 321.88472
SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl
Structure:
CAS RN: 41690-02-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO
MOLECULAR WEIGHT: 321.88472
SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl
Structure:
CAS RN: 41819-21-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO
MOLECULAR WEIGHT: 321.88472
SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl
Structure:
CAS RN: 2241-90-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H42N2O
MOLECULAR WEIGHT: 386.61378
SMILES: C[C@@H]([C@H]1[C@@H](CC2([C@@]1(CCC34[C@H]2CC[C@@H]5C3(C4)CC[C@@H](C5=C)NC)C)C)O)NC
Structure:
CAS RN: 2207-69-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H43N5O8S
MOLECULAR WEIGHT: 657.77752
SMILES: CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O
Structure:
CAS RN: 2706-67-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H43N5O8S
MOLECULAR WEIGHT: 657.77752
SMILES: CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O
Structure:
CAS RN: 2200-87-5
CAS Name: 4-phenyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide
OPENEYE Name: 4-phenyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide
IUPAC Name: 4-phenyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide
SYSTEMATIC NAME: 4-phenyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane 1-oxide
MOLECULAR FORMULA: C10H11O4P
MOLECULAR WEIGHT: 226.165701
SMILES: C1C2(COP(=O)(O1)OC2)C3=CC=CC=C3
Structure:
CAS RN: 2122-29-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26N2O
MOLECULAR WEIGHT: 250.37974
SMILES: C1CCN2CC3CC(C2C1)CN4C3C(CCC4)O
Structure:
CAS RN: 2105-20-6
CAS Name: 4-[2,3-bis(2-bromoethylthio)propoxy]benzoic acid
OPENEYE Name: 4-[2,3-bis(2-bromoethylsulfanyl)propoxy]benzoic acid
IUPAC Name: 4-[2,3-bis(2-bromoethylsulfanyl)propoxy]benzoic acid
SYSTEMATIC NAME: 4-[2,3-bis(2-bromoethylsulfanyl)propoxy]benzoic acid
MOLECULAR FORMULA: C14H18Br2O3S2
MOLECULAR WEIGHT: 458.22892
SMILES: C1=CC(=CC=C1C(=O)O)OCC(CSCCBr)SCCBr
Structure:
CAS RN: 2101-44-2
CAS Name: N'-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-N-methyloxamide
OPENEYE Name: N'-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-oxamide
IUPAC Name: N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyloxamide
SYSTEMATIC NAME: N'-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-methyl-ethanediamide
MOLECULAR FORMULA: C14H16N4O3
MOLECULAR WEIGHT: 288.30184
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)NC
Structure:
CAS RN: 2039-54-5
CAS Name: 2-(3-methoxyphenyl)ethanamine hydrochloride
OPENEYE Name: 2-(3-methoxyphenyl)ethanamine hydrochloride
IUPAC Name: 2-(3-methoxyphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(3-methoxyphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C9H14ClNO
MOLECULAR WEIGHT: 187.66656
SMILES: COC1=CC=CC(=C1)CCN.Cl
Structure:
CAS RN: 2022-20-0
CAS Name: 3-[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-3-phenylpiperidine-2,6-dione hydrochloride
OPENEYE Name: 3-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-3-phenyl-piperidine-2,6-dione hydrochloride
IUPAC Name: 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione hydrochloride
SYSTEMATIC NAME: 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-phenyl-piperidine-2,6-dione hydrochloride
MOLECULAR FORMULA: C23H26ClFN2O2
MOLECULAR WEIGHT: 416.916143
SMILES: C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)F.Cl
Structure:
CAS RN: 1978-61-6
CAS Name: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
OPENEYE Name: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
IUPAC Name: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
SYSTEMATIC NAME: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
MOLECULAR FORMULA: C11H13ClFN
MOLECULAR WEIGHT: 213.679023
SMILES: C1CNCC=C1C2=CC=C(C=C2)F.Cl
Structure:
CAS RN: 1683-49-4
CAS Name: 4-[3-(trifluoromethyl)phenyl]-4-piperidinol hydrochloride
OPENEYE Name: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol hydrochloride
IUPAC Name: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol hydrochloride
SYSTEMATIC NAME: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol hydrochloride
MOLECULAR FORMULA: C12H15ClF3NO
MOLECULAR WEIGHT: 281.70181
SMILES: C1CNCCC1(C2=CC(=CC=C2)C(F)(F)F)O.Cl
Structure:
CAS RN: 1605-74-9
CAS Name: 1,2-dimethylquinolin-1-ium; methyl sulfate
OPENEYE Name: 1,2-dimethylquinolin-1-ium; methyl sulfate
IUPAC Name: 1,2-dimethylquinolin-1-ium; methyl sulfate
SYSTEMATIC NAME: 1,2-dimethylquinolin-1-ium; methyl sulfate
MOLECULAR FORMULA: C12H15NO4S
MOLECULAR WEIGHT: 269.3168
SMILES: CC1=[N+](C2=CC=CC=C2C=C1)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 1596-64-1
CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)-1-propanol dihydrochloride
OPENEYE Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol dihydrochloride
IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol dihydrochloride
SYSTEMATIC NAME: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propan-1-ol dihydrochloride
MOLECULAR FORMULA: C6H13Cl2N3O
MOLECULAR WEIGHT: 214.09292
SMILES: C1=C(NC=N1)C[C@@H](CO)N.Cl.Cl
Structure:
CAS RN: 1566-41-2
CAS Name: (4-hydroxyphenyl)urea
OPENEYE Name: (4-hydroxyphenyl)urea
IUPAC Name: (4-hydroxyphenyl)urea
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)urea
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=CC(=CC=C1NC(=O)N)O
Structure:
CAS RN: 1560-54-9
CAS Name: triphenyl(prop-2-enyl)phosphonium bromide
OPENEYE Name: allyl(triphenyl)phosphonium bromide
IUPAC Name: triphenyl(prop-2-enyl)phosphanium bromide
SYSTEMATIC NAME: triphenyl(prop-2-enyl)phosphanium bromide
MOLECULAR FORMULA: C21H20BrP
MOLECULAR WEIGHT: 383.261261
SMILES: C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Structure:
CAS RN: 1538-11-0
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; diphenylmethanamine
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; diphenylmethanamine
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; diphenylmethanamine
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; diphenylmethanamine
MOLECULAR FORMULA: C29H31N3O4S
MOLECULAR WEIGHT: 517.63914
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)N
Structure:
CAS RN: 1317-75-5
CAS Name: uranium dihydrate
OPENEYE Name: uranium dihydrate
IUPAC Name: uranium dihydrate
SYSTEMATIC NAME: uranium dihydrate
MOLECULAR FORMULA: H4O2U
MOLECULAR WEIGHT: 274.05947
SMILES: O.O.[U]
Structure:
CAS RN: 1317-99-3
CAS Name: uranium dihydrate
OPENEYE Name: uranium dihydrate
IUPAC Name: uranium dihydrate
SYSTEMATIC NAME: uranium dihydrate
MOLECULAR FORMULA: H4O2U
MOLECULAR WEIGHT: 274.05947
SMILES: O.O.[U]
Structure:
CAS RN: 1130-06-9
CAS Name: (2R)-2-amino-1-phenyl-1-propanol; sulfuric acid
OPENEYE Name: (2R)-2-amino-1-phenyl-propan-1-ol; sulfuric acid
IUPAC Name: (2R)-2-amino-1-phenylpropan-1-ol; sulfuric acid
SYSTEMATIC NAME: (2R)-2-azanyl-1-phenyl-propan-1-ol; sulfuric acid
MOLECULAR FORMULA: C9H15NO5S
MOLECULAR WEIGHT: 249.2841
SMILES: C[C@H](C(C1=CC=CC=C1)O)N.OS(=O)(=O)O
Structure:
CAS RN: 1023-85-4
CAS Name: 2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
OPENEYE Name: 2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
IUPAC Name: 2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
SYSTEMATIC NAME: 2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
MOLECULAR FORMULA: C14H20ClN3O
MOLECULAR WEIGHT: 281.7811
SMILES: CN1CN(C2(C1=O)CCNCC2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 644-17-7
CAS Name: 2-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(hydroxymethyl)-1,4-benzoquinone
IUPAC Name: 2-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1=CC(=O)C(=CC1=O)CO
Structure:
CAS RN: 508-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H55NO11
MOLECULAR WEIGHT: 677.822
SMILES: CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4C1([C@@H]5[C@@H](CC6[C@]7(C5(C4)O[C@@]6([C@H](CC7)OC(=O)C)O)C)OC(=O)C)O)O
Structure:
CAS RN: 477-62-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5O)OC)C)O)OC
Structure:
CAS RN: 459-19-8
CAS Name: 2-(4-fluorophenyl)ethanamine hydrochloride
OPENEYE Name: 2-(4-fluorophenyl)ethanamine hydrochloride
IUPAC Name: 2-(4-fluorophenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(4-fluorophenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C8H11ClFN
MOLECULAR WEIGHT: 175.631043
SMILES: C1=CC(=CC=C1CCN)F.Cl
Structure:
CAS RN: 193-40-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H12N2
MOLECULAR WEIGHT: 304.34408
SMILES: C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C5=C3C2=NC6=CC=CC=C65
Structure:
CAS RN: 35253-24-8
CAS Name: N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-[4-[[5-(2-methylpropyl)-2-pyrimidinyl]sulfamoyl]phenyl]acetamide
OPENEYE Name: N-[1-(5-fluoro-2-methoxy-phenyl)ethyl]-2-[4-[(5-isobutylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
IUPAC Name: N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[1-(5-fluoranyl-2-methoxy-phenyl)ethyl]-2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C25H29FN4O4S
MOLECULAR WEIGHT: 500.585563
SMILES: CC(C)CC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)CC(=O)NC(C)C3=C(C=CC(=C3)F)OC
Structure:
CAS RN: 35273-88-2
CAS Name: N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-[4-[[5-(2-methylpropyl)-2-pyrimidinyl]sulfamoyl]phenyl]acetamide
OPENEYE Name: N-[1-(5-fluoro-2-methoxy-phenyl)ethyl]-2-[4-[(5-isobutylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
IUPAC Name: N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[1-(5-fluoranyl-2-methoxy-phenyl)ethyl]-2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C25H29FN4O4S
MOLECULAR WEIGHT: 500.585563
SMILES: CC(C)CC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)CC(=O)NC(C)C3=C(C=CC(=C3)F)OC
Structure:
CAS RN: 53022-39-2
CAS Name: N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-[4-[[5-(2-methylpropyl)-2-pyrimidinyl]sulfamoyl]phenyl]acetamide
OPENEYE Name: N-[1-(5-fluoro-2-methoxy-phenyl)ethyl]-2-[4-[(5-isobutylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
IUPAC Name: N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[1-(5-fluoranyl-2-methoxy-phenyl)ethyl]-2-[4-[[5-(2-methylpropyl)pyrimidin-2-yl]sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C25H29FN4O4S
MOLECULAR WEIGHT: 500.585563
SMILES: CC(C)CC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)CC(=O)NC(C)C3=C(C=CC(=C3)F)OC
Structure:
CAS RN: 152041-26-4
CAS Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-2-benzofuranyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxybenzofuran-2-yl)phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-oxidanyl-5-(6-oxidanyl-1-benzofuran-2-yl)phenoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C20H20O9
MOLECULAR WEIGHT: 404.3674
SMILES: C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Structure:
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