CAS RN: 122771-83-9
CAS Name: 3-(2-methoxyphenyl)-2-benzopyran-1-one
OPENEYE Name: 3-(2-methoxyphenyl)isochromen-1-one
IUPAC Name: 3-(2-methoxyphenyl)isochromen-1-one
SYSTEMATIC NAME: 3-(2-methoxyphenyl)isochromen-1-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: COC1=CC=CC=C1C2=CC3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 122771-73-7
CAS Name: ethanethioic acid S-[[(4aS,8aR,9aR)-9a-hydroxy-4,4-dimethyl-2-oxo-5,6,8a,9-tetrahydro-4aH-benzo[f]benzofuran-7-yl]methyl] ester
OPENEYE Name: S-[[(4aS,8aR,9aR)-9a-hydroxy-4,4-dimethyl-2-oxo-5,6,8a,9-tetrahydro-4aH-benzo[f]benzofuran-7-yl]methyl] ethanethioate
IUPAC Name: S-[[(4aS,8aR,9aR)-9a-hydroxy-4,4-dimethyl-2-oxo-5,6,8a,9-tetrahydro-4aH-benzo[f][1]benzofuran-7-yl]methyl] ethanethioate
SYSTEMATIC NAME: S-[[(4aS,8aR,9aR)-4,4-dimethyl-9a-oxidanyl-2-oxidanylidene-5,6,8a,9-tetrahydro-4aH-benzo[f][1]benzofuran-7-yl]methyl] ethanethioate
MOLECULAR FORMULA: C17H22O4S
MOLECULAR WEIGHT: 322.41918
SMILES: CC(=O)SCC1=C[C@H]2C[C@@]3(C(=CC(=O)O3)C([C@H]2CC1)(C)C)O
Structure:
CAS RN: 122761-89-1
CAS Name: 2-(6-ethyl-1,3,4,5-tetrahydropyrano[4,3-b]indol-4-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(6-ethyl-1,3,4,5-tetrahydropyrano[4,3-b]indol-4-yl)acetate
IUPAC Name: ethyl 2-(6-ethyl-1,3,4,5-tetrahydropyrano[4,3-b]indol-4-yl)acetate
SYSTEMATIC NAME: ethyl 2-(6-ethyl-1,3,4,5-tetrahydropyrano[4,3-b]indol-4-yl)ethanoate
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: CCC1=CC=CC2=C1NC3=C2COCC3CC(=O)OCC
Structure:
CAS RN: 122757-59-9
CAS Name: 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]acetic acid
OPENEYE Name: 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]acetic acid
IUPAC Name: 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[9-[(4-chlorophenyl)methyl]-6-fluoranyl-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]ethanoic acid
MOLECULAR FORMULA: C21H21ClFNO2
MOLECULAR WEIGHT: 373.848343
SMILES: C1CC(C2C(C1)C3=C(N2CC4=CC=C(C=C4)Cl)C=CC(=C3)F)CC(=O)O
Structure:
CAS RN: 122732-06-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)C4=CNC5=CC=CC=C54
Structure:
CAS RN: 122719-40-8
CAS Name: sulfuric acid (2-amino-3-methyl-5-imidazo[4,5-f]quinolinyl) ester
OPENEYE Name: (2-amino-3-methyl-imidazo[4,5-f]quinolin-5-yl) hydrogen sulfate
IUPAC Name: (2-amino-3-methylimidazo[4,5-f]quinolin-5-yl) hydrogen sulfate
SYSTEMATIC NAME: (2-azanyl-3-methyl-imidazo[4,5-f]quinolin-5-yl) hydrogen sulfate
MOLECULAR FORMULA: C11H10N4O4S
MOLECULAR WEIGHT: 294.2865
SMILES: CN1C2=CC(=C3C(=C2N=C1N)C=CC=N3)OS(=O)(=O)O
Structure:
CAS RN: 122719-38-4
CAS Name: 2-amino-3-methyl-5-imidazo[4,5-f]quinolinol
OPENEYE Name: 2-amino-3-methyl-imidazo[4,5-f]quinolin-5-ol
IUPAC Name: 2-amino-3-methylimidazo[4,5-f]quinolin-5-ol
SYSTEMATIC NAME: 2-azanyl-3-methyl-imidazo[4,5-f]quinolin-5-ol
MOLECULAR FORMULA: C11H10N4O
MOLECULAR WEIGHT: 214.2233
SMILES: CN1C2=CC(=C3C(=C2N=C1N)C=CC=N3)O
Structure:
CAS RN: 122714-66-3
CAS Name: 6-(octadecyldisulfanyl)-7H-purine
OPENEYE Name: 6-(octadecyldisulfanyl)-7H-purine
IUPAC Name: 6-(octadecyldisulfanyl)-7H-purine
SYSTEMATIC NAME: 6-(octadecyldisulfanyl)-7H-purine
MOLECULAR FORMULA: C23H40N4S2
MOLECULAR WEIGHT: 436.7205
SMILES: CCCCCCCCCCCCCCCCCCSSC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 122712-57-6
CAS Name: (2S)-2-[[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-(6-azanyl-3-oxidanylidene-1,2,4-benzotriazin-2-yl)phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H17N5O6
MOLECULAR WEIGHT: 411.36818
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C(=O)N=C3C=C(C=CC3=N2)N
Structure:
CAS RN: 122670-49-9
CAS Name: 2-[[[2-fluoro-6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-oxomethyl]-methoxycarbonylamino]acetic acid
OPENEYE Name: 2-[[2-fluoro-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methoxycarbonyl-amino]acetic acid
IUPAC Name: 2-[[2-fluoro-6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methoxycarbonylamino]acetic acid
SYSTEMATIC NAME: 2-[[2-fluoranyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonyl-methoxycarbonyl-amino]ethanoic acid
MOLECULAR FORMULA: C17H13F4NO6
MOLECULAR WEIGHT: 403.281833
SMILES: COC1=C(C2=C(C=C1)C(=C(C=C2)F)C(=O)N(CC(=O)O)C(=O)OC)C(F)(F)F
Structure:
CAS RN: 122665-73-0
CAS Name: (2S)-2-[[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C17H23ClN2O8S
MOLECULAR WEIGHT: 450.89112
SMILES: CS(=O)(=O)OCCN(CCCl)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 122665-70-7
CAS Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid
OPENEYE Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid
IUPAC Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid
SYSTEMATIC NAME: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid
MOLECULAR FORMULA: C12H16ClNO5S
MOLECULAR WEIGHT: 321.77714
SMILES: CS(=O)(=O)OCCN(CCCl)C1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 122664-96-4
CAS Name: sulfuric acid [4-(2-amino-1-methyl-6-imidazo[4,5-b]pyridinyl)phenyl] ester
OPENEYE Name: [4-(2-amino-1-methyl-imidazo[4,5-b]pyridin-6-yl)phenyl] hydrogen sulfate
IUPAC Name: [4-(2-amino-1-methylimidazo[4,5-b]pyridin-6-yl)phenyl] hydrogen sulfate
SYSTEMATIC NAME: [4-(2-azanyl-1-methyl-imidazo[4,5-b]pyridin-6-yl)phenyl] hydrogen sulfate
MOLECULAR FORMULA: C13H12N4O4S
MOLECULAR WEIGHT: 320.32378
SMILES: CN1C2=C(N=CC(=C2)C3=CC=C(C=C3)OS(=O)(=O)O)N=C1N
Structure:
CAS RN: 122651-70-1
CAS Name: 4-(methylseleno)-2-oxobutanoic acid
OPENEYE Name: 4-methylselanyl-2-oxo-butanoic acid
IUPAC Name: 4-methylselanyl-2-oxobutanoic acid
SYSTEMATIC NAME: 4-methylselanyl-2-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C5H8O3Se
MOLECULAR WEIGHT: 195.07522
SMILES: C[Se]CCC(=O)C(=O)O
Structure:
CAS RN: 122629-53-2
CAS Name: 6-(4-hydroxynonyl)-2-oxanone
OPENEYE Name: 6-(4-hydroxynonyl)tetrahydropyran-2-one
IUPAC Name: 6-(4-hydroxynonyl)oxan-2-one
SYSTEMATIC NAME: 6-(4-oxidanylnonyl)oxan-2-one
MOLECULAR FORMULA: C14H26O3
MOLECULAR WEIGHT: 242.35444
SMILES: CCCCCC(CCCC1CCCC(=O)O1)O
Structure:
CAS RN: 122629-20-3
CAS Name: (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one; iodomethane
OPENEYE Name: (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one; iodomethane
IUPAC Name: (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one; iodomethane
SYSTEMATIC NAME: (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one; iodanylmethane
MOLECULAR FORMULA: C11H20INO
MOLECULAR WEIGHT: 309.18707
SMILES: CN1CC[C@@H]2[C@@H](C1)CCCC2=O.CI
Structure:
CAS RN: 122607-12-9
CAS Name: (2S)-2-methoxy-2-phenylacetic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-methoxy-2-phenyl-acetate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-methoxy-2-phenylacetate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2S)-2-methoxy-2-phenyl-ethanoate
MOLECULAR FORMULA: C13H13NO5
MOLECULAR WEIGHT: 263.24602
SMILES: CO[C@@H](C1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
Structure:
CAS RN: 106807-35-6
CAS Name: acetic acid [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-hydroxy-3-oxolanyl]-11-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester
OPENEYE Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-11-hydroxy-17-[(2S,3R,5S)-2-hydroxy-5-sec-butyl-tetrahydrofuran-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
IUPAC Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-hydroxyoxolan-3-yl]-11-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
SYSTEMATIC NAME: [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-oxidanyl-oxolan-3-yl]-4,4,8,10,13-pentamethyl-11-oxidanyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ethanoate
MOLECULAR FORMULA: C32H48O6
MOLECULAR WEIGHT: 528.71992
SMILES: CCC(C)[C@@H]1C[C@@H]([C@H](O1)O)[C@@H]2CC=C3[C@]2(C[C@H]([C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)OC(=O)C)C)O)C
Structure:
CAS RN: 122605-96-3
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]hexanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C15H28N4O7
MOLECULAR WEIGHT: 376.40542
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)O
Structure:
CAS RN: 122594-35-8
CAS Name: (2S)-2-[[[4-[2-(2,4-diamino-6-pteridinyl)propyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)propyl]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)propyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[2-[2,4-bis(azanyl)pteridin-6-yl]propyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H23N7O5
MOLECULAR WEIGHT: 453.45122
SMILES: CC(CC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 122590-75-4
CAS Name: 4-azido-2,3,5,6-tetrafluorobenzoic acid methyl ester
OPENEYE Name: methyl 4-azido-2,3,5,6-tetrafluoro-benzoate
IUPAC Name: methyl 4-azido-2,3,5,6-tetrafluorobenzoate
SYSTEMATIC NAME: methyl 4-azido-2,3,5,6-tetrakis(fluoranyl)benzoate
MOLECULAR FORMULA: C8H3F4N3O2
MOLECULAR WEIGHT: 249.121933
SMILES: COC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F
Structure:
CAS RN: 122589-83-7
CAS Name: 2-(4-methylphenyl)-1,3-benzothiazol-4-ol
OPENEYE Name: 2-(p-tolyl)-1,3-benzothiazol-4-ol
IUPAC Name: 2-(4-methylphenyl)-1,3-benzothiazol-4-ol
SYSTEMATIC NAME: 2-(4-methylphenyl)-1,3-benzothiazol-4-ol
MOLECULAR FORMULA: C14H11NOS
MOLECULAR WEIGHT: 241.30824
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3S2)O
Structure:
CAS RN: 122589-79-1
CAS Name: acetic acid [2-(4-methylphenyl)-1,3-benzothiazol-4-yl] ester
OPENEYE Name: [2-(p-tolyl)-1,3-benzothiazol-4-yl] acetate
IUPAC Name: [2-(4-methylphenyl)-1,3-benzothiazol-4-yl] acetate
SYSTEMATIC NAME: [2-(4-methylphenyl)-1,3-benzothiazol-4-yl] ethanoate
MOLECULAR FORMULA: C16H13NO2S
MOLECULAR WEIGHT: 283.34492
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3S2)OC(=O)C
Structure:
CAS RN: 122576-86-7
CAS Name: 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-cyano-6-methyl-2-(4-pyridylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
IUPAC Name: ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C23H20F3N3O4S
MOLECULAR WEIGHT: 491.48281
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CS(=O)(=O)C3=CC=NC=C3
Structure:
CAS RN: 122564-67-4
CAS Name: 1-[(6R)-9,9-dimethyl-9-azoniabicyclo[4.2.1]non-4-en-5-yl]ethanone iodide
OPENEYE Name: 1-[(6R)-9,9-dimethyl-9-azoniabicyclo[4.2.1]non-4-en-5-yl]ethanone iodide
IUPAC Name: 1-[(6R)-9,9-dimethyl-9-azoniabicyclo[4.2.1]non-4-en-5-yl]ethanone iodide
SYSTEMATIC NAME: 1-[(6R)-9,9-dimethyl-9-azoniabicyclo[4.2.1]non-4-en-5-yl]ethanone iodide
MOLECULAR FORMULA: C12H20INO
MOLECULAR WEIGHT: 321.19777
SMILES: CC(=O)C1=CCCC2CC[C@H]1[N+]2(C)C.[I-]
Structure:
CAS RN: 122560-21-8
CAS Name: N,N'-bis[3-(ethylamino)propyl]octane-1,8-diamine
OPENEYE Name: N,N'-bis[3-(ethylamino)propyl]octane-1,8-diamine
IUPAC Name: N,N'-bis[3-(ethylamino)propyl]octane-1,8-diamine
SYSTEMATIC NAME: N,N'-bis[3-(ethylamino)propyl]octane-1,8-diamine
MOLECULAR FORMULA: C18H42N4
MOLECULAR WEIGHT: 314.55288
SMILES: CCNCCCNCCCCCCCCNCCCNCC
Structure:
CAS RN: 106818-49-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H34O3
MOLECULAR WEIGHT: 334.49286
SMILES: CC1C2CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CCC3(C2)C1O)(C)C(=O)OC)C
Structure:
CAS RN: 122551-69-3
CAS Name: acetic acid [(2R,3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran-2-yl] ester
OPENEYE Name: [(2R,3R,4aS,6aR,10aR,10bS)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-yl] acetate
IUPAC Name: [(2R,3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-yl] acetate
SYSTEMATIC NAME: [(2R,3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-2-yl] ethanoate
MOLECULAR FORMULA: C22H36O3
MOLECULAR WEIGHT: 348.51944
SMILES: CC(=O)O[C@@H]1C[C@H]2[C@@]3(CCCC([C@H]3CC[C@@]2(O[C@]1(C)C=C)C)(C)C)C
Structure:
CAS RN: 106821-54-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O8
MOLECULAR WEIGHT: 398.4474
SMILES: CC(C)[C@]1([C@H]([C@@]2([C@@]3([C@]1(C4(CC2([C@@]5(C3(O4)[C@@H](C(=C)CC5)O)O)C)O)C)O)O)O)O
Structure:
CAS RN: 122535-63-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H31NO12
MOLECULAR WEIGHT: 669.63084
SMILES: CC(C)CC(=O)OCC12CC3=C(C(=C4C(=C3)C=CC5=C4C(=O)C6=C(C5=O)OC7=CC(=C(C=C7C6=O)OC)OC)O)C(=O)N1C(C(=O)O2)(C)C
Structure:
CAS RN: 122520-00-7
CAS Name: N,N-dipropyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine
OPENEYE Name: N,N-dipropyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine
IUPAC Name: N,N-dipropyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine
SYSTEMATIC NAME: N,N-dipropyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine
MOLECULAR FORMULA: C18H26N2
MOLECULAR WEIGHT: 270.41244
SMILES: CCCN(CCC)C1CCC2=C(C1)C=C3C(=C2)C=CN3
Structure:
CAS RN: 122519-98-6
CAS Name: N-[2-(1H-indol-6-yl)ethyl]-N-propyl-1-propanamine
OPENEYE Name: N-[2-(1H-indol-6-yl)ethyl]-N-propyl-propan-1-amine
IUPAC Name: N-[2-(1H-indol-6-yl)ethyl]-N-propylpropan-1-amine
SYSTEMATIC NAME: N-[2-(1H-indol-6-yl)ethyl]-N-propyl-propan-1-amine
MOLECULAR FORMULA: C16H24N2
MOLECULAR WEIGHT: 244.37516
SMILES: CCCN(CCC)CCC1=CC2=C(C=C1)C=CN2
Structure:
CAS RN: 122508-12-7
CAS Name: 2,6-dimethyl-4-(2-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[2-(4-methylphenyl)ethyl] ester O5-propan-2-yl ester
OPENEYE Name: O5-isopropyl O3-[2-(p-tolyl)ethyl] 2,6-dimethyl-4-(2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 3-O-[2-(4-methylphenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-[2-(4-methylphenyl)ethyl] O5-propan-2-yl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C26H30N2O4
MOLECULAR WEIGHT: 434.5274
SMILES: CC1=CC=C(C=C1)CCOC(=O)C2=C(NC(=C(C2C3=CC=CC=N3)C(=O)OC(C)C)C)C
Structure:
CAS RN: 122485-01-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H17N3
MOLECULAR WEIGHT: 239.31558
SMILES: C1CN2CC3=CC=CC=C3N4C=CC=C4C2CN1
Structure:
CAS RN: 106835-45-4
CAS Name: 6,7-dimethoxy-2H-pyrazolo[3,4-b]quinolin-3-amine
OPENEYE Name: 6,7-dimethoxy-2H-pyrazolo[3,4-b]quinolin-3-amine
IUPAC Name: 6,7-dimethoxy-2H-pyrazolo[3,4-b]quinolin-3-amine
SYSTEMATIC NAME: 6,7-dimethoxy-2H-pyrazolo[3,4-b]quinolin-3-amine
MOLECULAR FORMULA: C12H12N4O2
MOLECULAR WEIGHT: 244.24928
SMILES: COC1=CC2=CC3=C(NN=C3N=C2C=C1OC)N
Structure:
CAS RN: 122454-69-7
CAS Name: 2-(4-methylsulfinylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
OPENEYE Name: 2-(4-methylsulfinylphenyl)-3-(4-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
IUPAC Name: 2-(4-methylsulfinylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SYSTEMATIC NAME: 2-(4-methylsulfinylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
MOLECULAR FORMULA: C18H17N3OS
MOLECULAR WEIGHT: 323.41208
SMILES: CS(=O)C1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4
Structure:
CAS RN: 106848-71-9
CAS Name: (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (2R)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-3-[5-(4-hydroxyphenyl)-2-oxidanyl-phenyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C22H25N3O8S
MOLECULAR WEIGHT: 491.5142
SMILES: C1=CC(=CC=C1C2=CC(=C(C=C2)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)O
Structure:
CAS RN: 122454-68-6
CAS Name: 2-[4-(methylthio)phenyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
OPENEYE Name: 2-(4-methylsulfanylphenyl)-3-(4-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
IUPAC Name: 2-(4-methylsulfanylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SYSTEMATIC NAME: 2-(4-methylsulfanylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
MOLECULAR FORMULA: C18H17N3S
MOLECULAR WEIGHT: 307.41268
SMILES: CSC1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4
Structure:
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