CAS RN: 126049-72-7
CAS Name: 3-hydroxy-N-(2-oxo-3-oxolanyl)butanamide
OPENEYE Name: 3-hydroxy-N-(2-oxotetrahydrofuran-3-yl)butanamide
IUPAC Name: 3-hydroxy-N-(2-oxooxolan-3-yl)butanamide
SYSTEMATIC NAME: 3-oxidanyl-N-(2-oxidanylideneoxolan-3-yl)butanamide
MOLECULAR FORMULA: C8H13NO4
MOLECULAR WEIGHT: 187.19312
SMILES: CC(CC(=O)NC1CCOC1=O)O
Structure:
CAS RN: 125992-10-1
CAS Name: 1-amino-3-[2-(5H-isoxazol-2-ylmethoxy)phenoxy]-2-propanol
OPENEYE Name: 1-amino-3-[2-(5H-isoxazol-2-ylmethoxy)phenoxy]propan-2-ol
IUPAC Name: 1-amino-3-[2-(5H-1,2-oxazol-2-ylmethoxy)phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-azanyl-3-[2-(5H-1,2-oxazol-2-ylmethoxy)phenoxy]propan-2-ol
MOLECULAR FORMULA: C13H18N2O4
MOLECULAR WEIGHT: 266.29302
SMILES: C1C=CN(O1)COC2=CC=CC=C2OCC(CN)O
Structure:
CAS RN: 87919-34-4
CAS Name: 4-[2-(2,2,2-trifluoroethylamino)ethyl]benzene-1,2-diol
OPENEYE Name: 4-[2-(2,2,2-trifluoroethylamino)ethyl]benzene-1,2-diol
IUPAC Name: 4-[2-(2,2,2-trifluoroethylamino)ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[2-[2,2,2-tris(fluoranyl)ethylamino]ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C10H12F3NO2
MOLECULAR WEIGHT: 235.20299
SMILES: C1=CC(=C(C=C1CCNCC(F)(F)F)O)O
Structure:
CAS RN: 77301-42-9
CAS Name: (2R)-2-acetamido-3-[(3-hydroxy-1-phenylpropyl)thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-(3-hydroxy-1-phenyl-propyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-(3-hydroxy-1-phenylpropyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-(3-oxidanyl-1-phenyl-propyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C14H19NO4S
MOLECULAR WEIGHT: 297.36996
SMILES: CC(=O)N[C@@H](CSC(CCO)C1=CC=CC=C1)C(=O)O
Structure:
CAS RN: 73986-53-5
CAS Name: 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
OPENEYE Name: 3-[2-[(dimethylamino)methyl]-1-hydroxy-cyclohexyl]phenol
IUPAC Name: 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
SYSTEMATIC NAME: 3-[2-[(dimethylamino)methyl]-1-oxidanyl-cyclohexyl]phenol
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CN(C)CC1CCCCC1(C2=CC(=CC=C2)O)O
Structure:
CAS RN: 125992-09-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H14N2O
MOLECULAR WEIGHT: 262.30586
SMILES: CC1CN2C3=C(C=CC=C13)C(=NC2=O)C4=CC=CC=C4
Structure:
CAS RN: 125973-91-3
CAS Name: 2-amino-7-(2-fluoroethyl)-3H-purin-6-one
OPENEYE Name: 2-amino-7-(2-fluoroethyl)-3H-purin-6-one
IUPAC Name: 2-amino-7-(2-fluoroethyl)-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-7-(2-fluoranylethyl)-3H-purin-6-one
MOLECULAR FORMULA: C7H8FN5O
MOLECULAR WEIGHT: 197.169723
SMILES: C1=NC2=C(N1CCF)C(=O)N=C(N2)N
Structure:
CAS RN: 125946-92-1
CAS Name: disodium [1-hydroxy-1-phosphonato-3-(1-pyrrolidinyl)propyl]phosphonic acid
OPENEYE Name: disodium (1-hydroxy-1-phosphonato-3-pyrrolidin-1-yl-propyl)phosphonic acid
IUPAC Name: disodium (1-hydroxy-1-phosphonato-3-pyrrolidin-1-ylpropyl)phosphonic acid
SYSTEMATIC NAME: disodium (1-oxidanyl-1-phosphonato-3-pyrrolidin-1-yl-propyl)phosphonic acid
MOLECULAR FORMULA: C7H15NNa2O7P2
MOLECULAR WEIGHT: 333.123562
SMILES: C1CCN(C1)CCC(O)(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 125927-26-6
CAS Name: 1-methyl-4-(phenylmethyl)-3,6-dihydro-2H-pyridine hydrochloride
OPENEYE Name: 4-benzyl-1-methyl-3,6-dihydro-2H-pyridine hydrochloride
IUPAC Name: 4-benzyl-1-methyl-3,6-dihydro-2H-pyridine hydrochloride
SYSTEMATIC NAME: 1-methyl-4-(phenylmethyl)-3,6-dihydro-2H-pyridine hydrochloride
MOLECULAR FORMULA: C13H18ClN
MOLECULAR WEIGHT: 223.74172
SMILES: CN1CCC(=CC1)CC2=CC=CC=C2.Cl
Structure:
CAS RN: 125910-83-0
CAS Name: 5,7-dinitroquinoxaline-2,3-dione
OPENEYE Name: 5,7-dinitroquinoxaline-2,3-dione
IUPAC Name: 5,7-dinitroquinoxaline-2,3-dione
SYSTEMATIC NAME: 5,7-dinitroquinoxaline-2,3-dione
MOLECULAR FORMULA: C8H2N4O6
MOLECULAR WEIGHT: 250.12468
SMILES: C1=C(C=C(C2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 125910-12-5
CAS Name: 1-ethyl-2-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-7-methyl-1,8-naphthyridin-4-one
OPENEYE Name: 1-ethyl-2-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-7-methyl-1,8-naphthyridin-4-one
IUPAC Name: 1-ethyl-2-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-7-methyl-1,8-naphthyridin-4-one
SYSTEMATIC NAME: 1-ethyl-2-(1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-3-yl)-7-methyl-1,8-naphthyridin-4-one
MOLECULAR FORMULA: C22H22N4O2
MOLECULAR WEIGHT: 374.43568
SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C3=CC(=O)C4=C(N3CC)N=C(C=C4)C
Structure:
CAS RN: 125850-12-6
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-carboxy-1-oxopropyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C15H27N3O6
MOLECULAR WEIGHT: 345.39138
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)N
Structure:
CAS RN: 125847-45-2
CAS Name: (1S,2S)-1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
OPENEYE Name: (1S,2S)-1,2-dihydronaphtho[1,2-b]benzothiophene-1,2-diol
IUPAC Name: (1S,2S)-1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
SYSTEMATIC NAME: (1S,2S)-1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
MOLECULAR FORMULA: C16H12O2S
MOLECULAR WEIGHT: 268.33028
SMILES: C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C[C@@H]([C@H]4O)O)C=C3
Structure:
CAS RN: 125846-62-0
CAS Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylammonium iodide
OPENEYE Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethyl-ammonium iodide
IUPAC Name: 3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium iodide
SYSTEMATIC NAME: 3-(7,8-dimethoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethyl-azanium iodide
MOLECULAR FORMULA: C27H39IN2O5
MOLECULAR WEIGHT: 598.51343
SMILES: C[N+](C)(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC.[I-]
Structure:
CAS RN: 125785-69-5
CAS Name: 4-[4-(4-chlorophenyl)-1-pyridin-1-iumyl]-1-(2-fluorophenyl)-1-butanone
OPENEYE Name: 4-[4-(4-chlorophenyl)pyridin-1-ium-1-yl]-1-(2-fluorophenyl)butan-1-one
IUPAC Name: 4-[4-(4-chlorophenyl)pyridin-1-ium-1-yl]-1-(2-fluorophenyl)butan-1-one
SYSTEMATIC NAME: 4-[4-(4-chlorophenyl)pyridin-1-ium-1-yl]-1-(2-fluorophenyl)butan-1-one
MOLECULAR FORMULA: C21H18ClFNO+
MOLECULAR WEIGHT: 354.825123
SMILES: C1=CC=C(C(=C1)C(=O)CCC[N+]2=CC=C(C=C2)C3=CC=C(C=C3)Cl)F
Structure:
CAS RN: 316-66-5
CAS Name: 1-hydroxy-2-nonyl-4-quinolinone
OPENEYE Name: 1-hydroxy-2-nonyl-quinolin-4-one
IUPAC Name: 1-hydroxy-2-nonylquinolin-4-one
SYSTEMATIC NAME: 2-nonyl-1-oxidanyl-quinolin-4-one
MOLECULAR FORMULA: C18H25NO2
MOLECULAR WEIGHT: 287.3966
SMILES: CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
Structure:
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