CAS RN: 127414-85-1
CAS Name: (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
OPENEYE Name: (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
IUPAC Name: (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
SYSTEMATIC NAME: (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
MOLECULAR FORMULA: C7H13NO4
MOLECULAR WEIGHT: 175.18242
SMILES: C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O
Structure:
CAS RN: 127414-58-8
CAS Name: 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)-2-propanol
OPENEYE Name: 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-ol
IUPAC Name: 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-ol
SYSTEMATIC NAME: 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-ol
MOLECULAR FORMULA: C17H24N2O2
MOLECULAR WEIGHT: 288.38466
SMILES: C1CCC(CC1)NCC(COC2=CC=CC3=C2C=CN3)O
Structure:
CAS RN: 127263-13-2
CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethyl)oxypiperidine
OPENEYE Name: 3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
IUPAC Name: 3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
SYSTEMATIC NAME: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethyl)oxy-piperidine
MOLECULAR FORMULA: C27H29NO3
MOLECULAR WEIGHT: 415.52406
SMILES: C1CC(CN(C1)CCC2=CC3=C(C=C2)OCO3)OC(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 127229-00-9
CAS Name: 6-[[(1S,2S)-2-octylcyclopentyl]amino]hexanoic acid
OPENEYE Name: 6-[[(1S,2S)-2-octylcyclopentyl]amino]hexanoic acid
IUPAC Name: 6-[[(1S,2S)-2-octylcyclopentyl]amino]hexanoic acid
SYSTEMATIC NAME: 6-[[(1S,2S)-2-octylcyclopentyl]amino]hexanoic acid
MOLECULAR FORMULA: C19H37NO2
MOLECULAR WEIGHT: 311.50258
SMILES: CCCCCCCC[C@H]1CCC[C@@H]1NCCCCCC(=O)O
Structure:
CAS RN: 127228-99-3
CAS Name: carbonic acid ethyl 9H-fluoren-9-ylmethyl ester
OPENEYE Name: ethyl 9H-fluoren-9-ylmethyl carbonate
IUPAC Name: ethyl 9H-fluoren-9-ylmethyl carbonate
SYSTEMATIC NAME: ethyl 9H-fluoren-9-ylmethyl carbonate
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: CCOC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Structure:
CAS RN: 127179-41-3
CAS Name: 3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]-1-propanol
OPENEYE Name: 3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propan-1-ol
IUPAC Name: 3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
SYSTEMATIC NAME: 3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
MOLECULAR FORMULA: C21H26O6
MOLECULAR WEIGHT: 374.42754
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](C3=CC(=CC(=C3O2)OC)CCCO)CO)OC
Structure:
CAS RN: 127158-47-8
CAS Name: 3-[bis(2-chloroethyl)amino]-1-(2-chloroethyl)-1-nitrosourea
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-1-(2-chloroethyl)-1-nitroso-urea
IUPAC Name: 3-[bis(2-chloroethyl)amino]-1-(2-chloroethyl)-1-nitrosourea
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-1-(2-chloroethyl)-1-nitroso-urea
MOLECULAR FORMULA: C7H13Cl3N4O2
MOLECULAR WEIGHT: 291.56272
SMILES: C(CCl)N(CCCl)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 127134-21-8
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-4-(2H-1,2,3,4-tetrazol-5-yl)butanoic acid
MOLECULAR FORMULA: C19H20N12O3
MOLECULAR WEIGHT: 464.4407
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC2=NNN=N2)C(=O)O)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N
Structure:
CAS RN: 127080-69-7
CAS Name: (8S,9S,10S,13S,14S,17S)-17-(2-hydroxy-1-oxoethyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10S,13S,14S,17S)-13-methyl-17-(2-oxidanylethanoyl)-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C23H30O3
MOLECULAR WEIGHT: 354.4825
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34CC#C
Structure:
CAS RN: 127020-81-9
CAS Name: (2S)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxo-2-azetidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl (2S)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxo-azetidine-2-carboxylate
IUPAC Name: ethyl (2S)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxoazetidine-2-carboxylate
SYSTEMATIC NAME: ethyl (2S)-3-ethyl-1-(4-nitrophenyl)sulfonyl-4-oxidanylidene-azetidine-2-carboxylate
MOLECULAR FORMULA: C14H16N2O7S
MOLECULAR WEIGHT: 356.35104
SMILES: CCC1[C@H](N(C1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC
Structure:
CAS RN: 127003-40-1
CAS Name: 1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-2-propanol
OPENEYE Name: 1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-ol
IUPAC Name: 1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-ol
MOLECULAR FORMULA: C20H27NO3
MOLECULAR WEIGHT: 329.43328
SMILES: CN(C)CC(COC1=CC=CC=C1CCC2=CC=C(C=C2)OC)O
Structure:
CAS RN: 126990-93-0
CAS Name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[(4-methoxyphenyl)methyl]-4-imidazo[1,5-a]quinoxalinone
OPENEYE Name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[(4-methoxyphenyl)methyl]imidazo[1,5-a]quinoxalin-4-one
IUPAC Name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[(4-methoxyphenyl)methyl]imidazo[1,5-a]quinoxalin-4-one
SYSTEMATIC NAME: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[(4-methoxyphenyl)methyl]imidazo[1,5-a]quinoxalin-4-one
MOLECULAR FORMULA: C23H19N5O3
MOLECULAR WEIGHT: 413.42866
SMILES: COC1=CC=C(C=C1)CN2C3=CC=CC=C3N4C=NC(=C4C2=O)C5=NOC(=N5)C6CC6
Structure:
CAS RN: 126979-84-8
CAS Name: 1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g]benzofuran-10,11-dione
OPENEYE Name: 1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g]benzofuran-10,11-dione
IUPAC Name: 1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
SYSTEMATIC NAME: 1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
MOLECULAR FORMULA: C18H16O3
MOLECULAR WEIGHT: 280.31784
SMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C
Structure:
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