CAS RN: 495-44-3
CAS Name: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide
OPENEYE Name: 1-[2-(4-fluorophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide
IUPAC Name: 1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide
SYSTEMATIC NAME: 1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide
MOLECULAR FORMULA: C14H12BrFN2O2
MOLECULAR WEIGHT: 339.159683
SMILES: C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)F)C(=O)N.[Br-]
Structure:
CAS RN: 6268-96-8
CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(4-methoxyphenyl)ethanone bromide
OPENEYE Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide
IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide
SYSTEMATIC NAME: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide
MOLECULAR FORMULA: C14H13Br2NO2
MOLECULAR WEIGHT: 387.06652
SMILES: COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-]
Structure:
CAS RN: 803712-67-6
CAS Name: (2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole; methanesulfonic acid
OPENEYE Name: (2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-ylidene]indole; methanesulfonic acid
IUPAC Name: (2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole; methanesulfonic acid
SYSTEMATIC NAME: (2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-pyrrol-2-ylidene]indole; methanesulfonic acid
MOLECULAR FORMULA: C21H23N3O4S
MOLECULAR WEIGHT: 413.49002
SMILES: CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C.CS(=O)(=O)O
Structure:
CAS RN: 291289-50-4
CAS Name: 4-(2,4-difluorophenyl)piperidine
OPENEYE Name: 4-(2,4-difluorophenyl)piperidine
IUPAC Name: 4-(2,4-difluorophenyl)piperidine
SYSTEMATIC NAME: 4-[2,4-bis(fluoranyl)phenyl]piperidine
MOLECULAR FORMULA: C11H13F2N
MOLECULAR WEIGHT: 197.224426
SMILES: C1CNCCC1C2=C(C=C(C=C2)F)F
Structure:
CAS RN: 412310-88-4
CAS Name: 4-(3,5-difluorophenyl)piperidine
OPENEYE Name: 4-(3,5-difluorophenyl)piperidine
IUPAC Name: 4-(3,5-difluorophenyl)piperidine
SYSTEMATIC NAME: 4-[3,5-bis(fluoranyl)phenyl]piperidine
MOLECULAR FORMULA: C11H13F2N
MOLECULAR WEIGHT: 197.224426
SMILES: C1CNCCC1C2=CC(=CC(=C2)F)F
Structure:
CAS RN: 916423-52-4
CAS Name: 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
OPENEYE Name: 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
IUPAC Name: 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SYSTEMATIC NAME: 3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
MOLECULAR FORMULA: C12H12FN3
MOLECULAR WEIGHT: 217.242183
SMILES: C1CNCC2=C1NN=C2C3=CC=C(C=C3)F
Structure:
CAS RN: 64-47-1
CAS Name: N-methylcarbamic acid [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester; sulfuric acid
OPENEYE Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate; sulfuric acid
IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate; sulfuric acid
SYSTEMATIC NAME: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate; sulfuric acid
MOLECULAR FORMULA: C15H23N3O6S
MOLECULAR WEIGHT: 373.42462
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.OS(=O)(=O)O
Structure:
CAS RN: 175277-88-0
CAS Name: 3-fluoro-4-methylbenzenecarboximidamide hydrochloride
OPENEYE Name: 3-fluoro-4-methyl-benzamidine hydrochloride
IUPAC Name: 3-fluoro-4-methylbenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 3-fluoranyl-4-methyl-benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C8H10ClFN2
MOLECULAR WEIGHT: 188.629803
SMILES: CC1=C(C=C(C=C1)C(=N)N)F.Cl
Structure:
CAS RN: 6429-04-5
CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
OPENEYE Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
MOLECULAR FORMULA: C20H26ClNO4
MOLECULAR WEIGHT: 379.87774
SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
Structure:
CAS RN: 3844-53-9
CAS Name: 2,6-diaminohexanoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2,6-diaminohexanoate hydrochloride
IUPAC Name: ethyl 2,6-diaminohexanoate hydrochloride
SYSTEMATIC NAME: ethyl 2,6-bis(azanyl)hexanoate hydrochloride
MOLECULAR FORMULA: C8H19ClN2O2
MOLECULAR WEIGHT: 210.70166
SMILES: CCOC(=O)C(CCCCN)N.Cl
Structure:
CAS RN: 528-04-1
CAS Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate
OPENEYE Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
IUPAC Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: [(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C17H25N3O17P2-2
MOLECULAR WEIGHT: 605.337822
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
Structure:
CAS RN: 3616-06-6
CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl] phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl] phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl] phosphate
MOLECULAR FORMULA: C14H20N2O16P2-2
MOLECULAR WEIGHT: 534.259922
SMILES: C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
Structure:
CAS RN: 58888-76-9
CAS Name: 3-hydroxy-3-methylhexanoic acid
OPENEYE Name: 3-hydroxy-3-methyl-hexanoic acid
IUPAC Name: 3-hydroxy-3-methylhexanoic acid
SYSTEMATIC NAME: 3-methyl-3-oxidanyl-hexanoic acid
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCCC(C)(CC(=O)O)O
Structure:
CAS RN: 934162-61-5
CAS Name: 2-[2-fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-4-carboxamide
OPENEYE Name: 2-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
IUPAC Name: 2-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
SYSTEMATIC NAME: 2-[2-fluoranyl-4-[(2S)-pyrrolidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
MOLECULAR FORMULA: C18H17FN4O
MOLECULAR WEIGHT: 324.352183
SMILES: C1C[C@H](NC1)C2=CC(=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)F
Structure:
CAS RN: 125898-38-6
CAS Name: sodium 2-oxobutanedioic acid diethyl ester
OPENEYE Name: sodium diethyl 2-oxobutanedioate
IUPAC Name: sodium diethyl 2-oxobutanedioate
SYSTEMATIC NAME: sodium diethyl 2-oxidanylidenebutanedioate
MOLECULAR FORMULA: C8H11NaO5
MOLECULAR WEIGHT: 210.15971
SMILES: CCOC(=O)[CH-]C(=O)C(=O)OCC.[Na+]
Structure:
CAS RN: 136978-97-7
CAS Name: sodium 2-oxobutanedioic acid diethyl ester
OPENEYE Name: sodium diethyl 2-oxobutanedioate
IUPAC Name: sodium diethyl 2-oxobutanedioate
SYSTEMATIC NAME: sodium diethyl 2-oxidanylidenebutanedioate
MOLECULAR FORMULA: C8H11NaO5
MOLECULAR WEIGHT: 210.15971
SMILES: CCOC(=O)[CH-]C(=O)C(=O)OCC.[Na+]
Structure:
CAS RN: 49635-95-2
CAS Name: sodium 2-oxobutanedioic acid diethyl ester
OPENEYE Name: sodium diethyl 2-oxobutanedioate
IUPAC Name: sodium diethyl 2-oxobutanedioate
SYSTEMATIC NAME: sodium diethyl 2-oxidanylidenebutanedioate
MOLECULAR FORMULA: C8H11NaO5
MOLECULAR WEIGHT: 210.15971
SMILES: CCOC(=O)[CH-]C(=O)C(=O)OCC.[Na+]
Structure:
CAS RN: 58333-46-3
CAS Name: sodium 2-oxobutanedioic acid diethyl ester
OPENEYE Name: sodium diethyl 2-oxobutanedioate
IUPAC Name: sodium diethyl 2-oxobutanedioate
SYSTEMATIC NAME: sodium diethyl 2-oxidanylidenebutanedioate
MOLECULAR FORMULA: C8H11NaO5
MOLECULAR WEIGHT: 210.15971
SMILES: CCOC(=O)[CH-]C(=O)C(=O)OCC.[Na+]
Structure:
CAS RN: 86284-65-3
CAS Name: sodium 2-oxobutanedioic acid diethyl ester
OPENEYE Name: sodium diethyl 2-oxobutanedioate
IUPAC Name: sodium diethyl 2-oxobutanedioate
SYSTEMATIC NAME: sodium diethyl 2-oxidanylidenebutanedioate
MOLECULAR FORMULA: C8H11NaO5
MOLECULAR WEIGHT: 210.15971
SMILES: CCOC(=O)[CH-]C(=O)C(=O)OCC.[Na+]
Structure:
CAS RN: 86387-68-0
CAS Name: sodium 2-oxobutanedioic acid diethyl ester
OPENEYE Name: sodium diethyl 2-oxobutanedioate
IUPAC Name: sodium diethyl 2-oxobutanedioate
SYSTEMATIC NAME: sodium diethyl 2-oxidanylidenebutanedioate
MOLECULAR FORMULA: C8H11NaO5
MOLECULAR WEIGHT: 210.15971
SMILES: CCOC(=O)[CH-]C(=O)C(=O)OCC.[Na+]
Structure:
CAS RN: 88145-90-8
CAS Name: 6-fluoro-1H-quinazoline-2,4-dione
OPENEYE Name: 6-fluoro-1H-quinazoline-2,4-dione
IUPAC Name: 6-fluoro-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 6-fluoranyl-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C8H5FN2O2
MOLECULAR WEIGHT: 180.135903
SMILES: C1=CC2=C(C=C1F)C(=O)NC(=O)N2
Structure:
CAS RN: 134517-57-0
CAS Name: 2,4-dichloro-6-fluoroquinazoline
OPENEYE Name: 2,4-dichloro-6-fluoro-quinazoline
IUPAC Name: 2,4-dichloro-6-fluoroquinazoline
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-fluoranyl-quinazoline
MOLECULAR FORMULA: C8H3Cl2FN2
MOLECULAR WEIGHT: 217.027223
SMILES: C1=CC2=C(C=C1F)C(=NC(=N2)Cl)Cl
Structure:
CAS RN: 769158-12-5
CAS Name: 2-chloro-6-fluoro-1H-quinazolin-4-one
OPENEYE Name: 2-chloro-6-fluoro-1H-quinazolin-4-one
IUPAC Name: 2-chloro-6-fluoro-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-chloranyl-6-fluoranyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C8H4ClFN2O
MOLECULAR WEIGHT: 198.581563
SMILES: C1=CC2=C(C=C1F)C(=O)N=C(N2)Cl
Structure:
CAS RN: 96102-85-1
CAS Name: 1-formyl-4-bicyclo[2.2.2]octanecarboxylic acid
OPENEYE Name: 1-formylbicyclo[2.2.2]octane-4-carboxylic acid
IUPAC Name: 1-formylbicyclo[2.2.2]octane-4-carboxylic acid
SYSTEMATIC NAME: 1-methanoylbicyclo[2.2.2]octane-4-carboxylic acid
MOLECULAR FORMULA: C10H14O3
MOLECULAR WEIGHT: 182.21636
SMILES: C1CC2(CCC1(CC2)C=O)C(=O)O
Structure:
CAS RN: 924309-93-3
CAS Name: 2-acetamido-8-nonenoic acid
OPENEYE Name: 2-acetamidonon-8-enoic acid
IUPAC Name: 2-acetamidonon-8-enoic acid
SYSTEMATIC NAME: 2-acetamidonon-8-enoic acid
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: CC(=O)NC(CCCCCC=C)C(=O)O
Structure:
CAS RN: 176977-85-8
CAS Name: 4-chloro-2-pyridinecarboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 4-chloropyridine-2-carboxylate hydrochloride
IUPAC Name: methyl 4-chloropyridine-2-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 4-chloranylpyridine-2-carboxylate hydrochloride
MOLECULAR FORMULA: C7H7Cl2NO2
MOLECULAR WEIGHT: 208.04198
SMILES: COC(=O)C1=NC=CC(=C1)Cl.Cl
Structure:
CAS RN: 31169-27-4
CAS Name: 7-bromo-4-chlorothieno[3,2-d]pyrimidine
OPENEYE Name: 7-bromo-4-chloro-thieno[3,2-d]pyrimidine
IUPAC Name: 7-bromo-4-chlorothieno[3,2-d]pyrimidine
SYSTEMATIC NAME: 7-bromanyl-4-chloranyl-thieno[3,2-d]pyrimidine
MOLECULAR FORMULA: C6H2BrClN2S
MOLECULAR WEIGHT: 249.51548
SMILES: C1=C(C2=C(S1)C(=NC=N2)Cl)Br
Structure:
CAS RN: 71252-68-1
CAS Name: 2-(3-chlorophenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
OPENEYE Name: 2-(3-chlorophenyl)-3-thioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
IUPAC Name: 2-(3-chlorophenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
SYSTEMATIC NAME: 2-(3-chlorophenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
MOLECULAR FORMULA: C13H13ClN2OS
MOLECULAR WEIGHT: 280.77312
SMILES: C1CCN2C(C1)C(=O)N(C2=S)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 20825-87-0
CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
IUPAC Name: ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SYSTEMATIC NAME: ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: CCOC(=O)C1=CC2=C(C=C1)OCCO2
Structure:
CAS RN: 928707-70-4
CAS Name: 5-ethyl-1,3-dimethyl-2-indolecarboxylic acid
OPENEYE Name: 5-ethyl-1,3-dimethyl-indole-2-carboxylic acid
IUPAC Name: 5-ethyl-1,3-dimethylindole-2-carboxylic acid
SYSTEMATIC NAME: 5-ethyl-1,3-dimethyl-indole-2-carboxylic acid
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: CCC1=CC2=C(C=C1)N(C(=C2C)C(=O)O)C
Structure:
CAS RN: 17399-25-6
CAS Name: 3-(3-phenylpropoxy)aniline hydrochloride
OPENEYE Name: 3-(3-phenylpropoxy)aniline hydrochloride
IUPAC Name: 3-(3-phenylpropoxy)aniline hydrochloride
SYSTEMATIC NAME: 3-(3-phenylpropoxy)aniline hydrochloride
MOLECULAR FORMULA: C15H18ClNO
MOLECULAR WEIGHT: 263.76252
SMILES: C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)N.Cl
Structure:
CAS RN: 887029-63-2
CAS Name: 2-methoxypropanehydrazide
OPENEYE Name: 2-methoxypropanehydrazide
IUPAC Name: 2-methoxypropanehydrazide
SYSTEMATIC NAME: 2-methoxypropanehydrazide
MOLECULAR FORMULA: C4H10N2O2
MOLECULAR WEIGHT: 118.1344
SMILES: CC(C(=O)NN)OC
Structure:
CAS RN: 915920-29-5
CAS Name: 2-propan-2-yloxypropanehydrazide
OPENEYE Name: 2-isopropoxypropanehydrazide
IUPAC Name: 2-propan-2-yloxypropanehydrazide
SYSTEMATIC NAME: 2-propan-2-yloxypropanehydrazide
MOLECULAR FORMULA: C6H14N2O2
MOLECULAR WEIGHT: 146.18756
SMILES: CC(C)OC(C)C(=O)NN
Structure:
CAS RN: 39242-95-0
CAS Name: 2-ethoxyacetohydrazide hydrochloride
OPENEYE Name: 2-ethoxyacetohydrazide hydrochloride
IUPAC Name: 2-ethoxyacetohydrazide hydrochloride
SYSTEMATIC NAME: 2-ethoxyethanehydrazide hydrochloride
MOLECULAR FORMULA: C4H11ClN2O2
MOLECULAR WEIGHT: 154.59534
SMILES: CCOCC(=O)NN.Cl
Structure:
CAS RN: 17399-24-5
CAS Name: 3-(2-phenylethoxy)aniline hydrochloride
OPENEYE Name: 3-(2-phenylethoxy)aniline hydrochloride
IUPAC Name: 3-(2-phenylethoxy)aniline hydrochloride
SYSTEMATIC NAME: 3-(2-phenylethoxy)aniline hydrochloride
MOLECULAR FORMULA: C14H16ClNO
MOLECULAR WEIGHT: 249.73594
SMILES: C1=CC=C(C=C1)CCOC2=CC=CC(=C2)N.Cl
Structure:
CAS RN: 898747-67-6
CAS Name: 2-propan-2-yloxyacetohydrazide hydrochloride
OPENEYE Name: 2-isopropoxyacetohydrazide hydrochloride
IUPAC Name: 2-propan-2-yloxyacetohydrazide hydrochloride
SYSTEMATIC NAME: 2-propan-2-yloxyethanehydrazide hydrochloride
MOLECULAR FORMULA: C5H13ClN2O2
MOLECULAR WEIGHT: 168.62192
SMILES: CC(C)OCC(=O)NN.Cl
Structure:
CAS RN: 213598-20-0
CAS Name: 3-bromo-4-propan-2-yloxybenzoic acid
OPENEYE Name: 3-bromo-4-isopropoxy-benzoic acid
IUPAC Name: 3-bromo-4-propan-2-yloxybenzoic acid
SYSTEMATIC NAME: 3-bromanyl-4-propan-2-yloxy-benzoic acid
MOLECULAR FORMULA: C10H11BrO3
MOLECULAR WEIGHT: 259.09654
SMILES: CC(C)OC1=C(C=C(C=C1)C(=O)O)Br
Structure:
CAS RN: 361344-43-6
CAS Name: 2-[4-(4-morpholinyl)phenyl]-2-oxoacetaldehyde
OPENEYE Name: 2-(4-morpholinophenyl)-2-oxo-acetaldehyde
IUPAC Name: 2-(4-morpholin-4-ylphenyl)-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-(4-morpholin-4-ylphenyl)-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)C=O
Structure:
CAS RN: 474538-99-3
CAS Name: 1'-(phenylmethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
OPENEYE Name: 1'-benzylspiro[indoline-3,4'-piperidine]
IUPAC Name: 1'-benzylspiro[1,2-dihydroindole-3,4'-piperidine]
SYSTEMATIC NAME: 1'-(phenylmethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
MOLECULAR FORMULA: C19H22N2
MOLECULAR WEIGHT: 278.39138
SMILES: C1CN(CCC12CNC3=CC=CC=C23)CC4=CC=CC=C4
Structure:
CAS RN: 258346-69-9
CAS Name: 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
OPENEYE Name: 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
IUPAC Name: 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
SYSTEMATIC NAME: 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
MOLECULAR FORMULA: C11H9F3O2
MOLECULAR WEIGHT: 230.18317
SMILES: CC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F
Structure:
CAS RN: 84946-18-9
CAS Name: 3-(2-hydroxyethyl)-2,7-dimethyl-4-pyrido[1,2-a]pyrimidinone
OPENEYE Name: 3-(2-hydroxyethyl)-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
IUPAC Name: 3-(2-hydroxyethyl)-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 3-(2-hydroxyethyl)-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1=CN2C(=NC(=C(C2=O)CCO)C)C=C1
Structure:
No comments:
Post a Comment