CAS RN: 324756-80-1
CAS Name: 3-formyl-5-methoxy-1-indolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-formyl-5-methoxy-indole-1-carboxylate
IUPAC Name: tert-butyl 3-formyl-5-methoxyindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-methanoyl-5-methoxy-indole-1-carboxylate
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OC)C=O
Structure:
CAS RN: 230618-41-4
CAS Name: 2-bromo-6-(1-pyrrolidinyl)pyridine
OPENEYE Name: 2-bromo-6-pyrrolidin-1-yl-pyridine
IUPAC Name: 2-bromo-6-pyrrolidin-1-ylpyridine
SYSTEMATIC NAME: 2-bromanyl-6-pyrrolidin-1-yl-pyridine
MOLECULAR FORMULA: C9H11BrN2
MOLECULAR WEIGHT: 227.10104
SMILES: C1CCN(C1)C2=NC(=CC=C2)Br
Structure:
CAS RN: 263159-64-4
CAS Name: 2-bromo-3-methylbenzonitrile
OPENEYE Name: 2-bromo-3-methyl-benzonitrile
IUPAC Name: 2-bromo-3-methylbenzonitrile
SYSTEMATIC NAME: 2-bromanyl-3-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H6BrN
MOLECULAR WEIGHT: 196.04394
SMILES: CC1=CC=CC(=C1Br)C#N
Structure:
CAS RN: 25193-95-7
CAS Name: 5-pyrimidinylmethanol
OPENEYE Name: pyrimidin-5-ylmethanol
IUPAC Name: pyrimidin-5-ylmethanol
SYSTEMATIC NAME: pyrimidin-5-ylmethanol
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: C1=C(C=NC=N1)CO
Structure:
CAS RN: 85169-31-9
CAS Name: tributyl(heptyl)ammonium bromide
OPENEYE Name: tributyl(heptyl)ammonium bromide
IUPAC Name: tributyl(heptyl)azanium bromide
SYSTEMATIC NAME: tributyl(heptyl)azanium bromide
MOLECULAR FORMULA: C19H42BrN
MOLECULAR WEIGHT: 364.44748
SMILES: CCCCCCC[N+](CCCC)(CCCC)CCCC.[Br-]
Structure:
CAS RN: 188199-78-2
CAS Name: 2-(3,5-dimethoxyphenyl)-2-oxoacetaldehyde
OPENEYE Name: 2-(3,5-dimethoxyphenyl)-2-oxo-acetaldehyde
IUPAC Name: 2-(3,5-dimethoxyphenyl)-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC1=CC(=CC(=C1)C(=O)C=O)OC
Structure:
CAS RN: 58960-71-7
CAS Name: (2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3,5-dibromo-4-hydroxy-phenyl)propanoic acid
IUPAC Name: (2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: (2S)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MOLECULAR FORMULA: C14H17Br2NO5
MOLECULAR WEIGHT: 439.09648
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O
Structure:
CAS RN: 158755-95-4
CAS Name: 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]phenoxy]methyl]phenoxy]propanoic acid methyl ester
OPENEYE Name: methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate
IUPAC Name: methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate
SYSTEMATIC NAME: methyl 2-[5-ethyl-2-[[4-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]methyl]phenoxy]propanoate
MOLECULAR FORMULA: C25H25F3N2O6
MOLECULAR WEIGHT: 506.47101
SMILES: CCC1=CC(=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)OC(C)C(=O)OC
Structure:
CAS RN: 212201-70-2
CAS Name: 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
OPENEYE Name: 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-N-isopropyl-5-oxo-1,2,4-triazole-4-carboxamide
IUPAC Name: 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-1-(2,4-dichlorophenyl)-5-oxidanylidene-N-propan-2-yl-1,2,4-triazole-4-carboxamide
MOLECULAR FORMULA: C18H14Cl2F2N4O2
MOLECULAR WEIGHT: 427.232166
SMILES: CC(C)N(C1=C(C=C(C=C1)F)F)C(=O)N2C=NN(C2=O)C3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 281192-93-6
CAS Name: 3-bromo-1-(phenylmethyl)pyrrolo[2,3-b]pyridine
OPENEYE Name: 1-benzyl-3-bromo-pyrrolo[2,3-b]pyridine
IUPAC Name: 1-benzyl-3-bromopyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 3-bromanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C14H11BrN2
MOLECULAR WEIGHT: 287.15454
SMILES: C1=CC=C(C=C1)CN2C=C(C3=C2N=CC=C3)Br
Structure:
CAS RN: 39843-70-4
CAS Name: 2-ethyl-1H-indol-4-ol
OPENEYE Name: 2-ethyl-1H-indol-4-ol
IUPAC Name: 2-ethyl-1H-indol-4-ol
SYSTEMATIC NAME: 2-ethyl-1H-indol-4-ol
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: CCC1=CC2=C(N1)C=CC=C2O
Structure:
CAS RN: 141112-06-3
CAS Name: (4-chloro-2-methylsulfonylphenyl)-(5-cyclopropyl-4-isoxazolyl)methanone
OPENEYE Name: (4-chloro-2-methylsulfonyl-phenyl)-(5-cyclopropylisoxazol-4-yl)methanone
IUPAC Name: (4-chloro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SYSTEMATIC NAME: (4-chloranyl-2-methylsulfonyl-phenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
MOLECULAR FORMULA: C14H12ClNO4S
MOLECULAR WEIGHT: 325.76738
SMILES: CS(=O)(=O)C1=C(C=CC(=C1)Cl)C(=O)C2=C(ON=C2)C3CC3
Structure:
CAS RN: 234451-82-2
CAS Name: 2,2,2-trifluoro-N1,N1,N1',N1',N1",N1"-hexamethylethane-1,1,1-triamine
OPENEYE Name: 2,2,2-trifluoro-N1,N1,N1',N1',N1",N1"-hexamethyl-ethane-1,1,1-triamine
IUPAC Name: 2,2,2-trifluoro-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylethane-1,1,1-triamine
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N1,N1,N1',N1',N1",N1"-hexamethyl-ethane-1,1,1-triamine
MOLECULAR FORMULA: C8H18F3N3
MOLECULAR WEIGHT: 213.24383
SMILES: CN(C)C(C(F)(F)F)(N(C)C)N(C)C
Structure:
CAS RN: 260558-15-4
CAS Name: 4-bromo-2-iodo-1-methylbenzene
OPENEYE Name: 4-bromo-2-iodo-1-methyl-benzene
IUPAC Name: 4-bromo-2-iodo-1-methylbenzene
SYSTEMATIC NAME: 4-bromanyl-2-iodanyl-1-methyl-benzene
MOLECULAR FORMULA: C7H6BrI
MOLECULAR WEIGHT: 296.93101
SMILES: CC1=C(C=C(C=C1)Br)I
Structure:
CAS RN: 263708-49-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H13NO2
MOLECULAR WEIGHT: 335.35482
SMILES: C1=CC(=CC2=C1C=CC3=CC4=C(C5=C(C=CC(=C5)C=O)C=C4)N=C32)C=O
Structure:
CAS RN: 118688-56-5
CAS Name: 1,3,5-tris(2-phenylethynyl)benzene
OPENEYE Name: 1,3,5-tris(2-phenylethynyl)benzene
IUPAC Name: 1,3,5-tris(2-phenylethynyl)benzene
SYSTEMATIC NAME: 1,3,5-tris(2-phenylethynyl)benzene
MOLECULAR FORMULA: C30H18
MOLECULAR WEIGHT: 378.46392
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C#CC3=CC=CC=C3)C#CC4=CC=CC=C4
Structure:
CAS RN: 58939-41-6
CAS Name: 2,3,9,10-tetramethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium iodide
OPENEYE Name: 2,3,9,10-tetramethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium iodide
IUPAC Name: 2,3,9,10-tetramethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium iodide
SYSTEMATIC NAME: 2,3,9,10-tetramethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium iodide
MOLECULAR FORMULA: C21H26INO4
MOLECULAR WEIGHT: 483.33991
SMILES: C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC.[I-]
Structure:
CAS RN: 21156-84-3
CAS Name: 2-(1-methyl-4-piperidinyl)ethanol
OPENEYE Name: 2-(1-methyl-4-piperidyl)ethanol
IUPAC Name: 2-(1-methylpiperidin-4-yl)ethanol
SYSTEMATIC NAME: 2-(1-methylpiperidin-4-yl)ethanol
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CN1CCC(CC1)CCO
Structure:
CAS RN: 199287-52-0
CAS Name: 4,5-difluoro-2-hydroxybenzaldehyde
OPENEYE Name: 4,5-difluoro-2-hydroxy-benzaldehyde
IUPAC Name: 4,5-difluoro-2-hydroxybenzaldehyde
SYSTEMATIC NAME: 4,5-bis(fluoranyl)-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H4F2O2
MOLECULAR WEIGHT: 158.102266
SMILES: C1=C(C(=CC(=C1F)F)O)C=O
Structure:
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