CAS RN: 864685-48-3
CAS Name: 5-tert-butyl-2-heptan-2-yl-4H-pyrazol-3-one
OPENEYE Name: 5-tert-butyl-2-(1-methylhexyl)-4H-pyrazol-3-one
IUPAC Name: 5-tert-butyl-2-heptan-2-yl-4H-pyrazol-3-one
SYSTEMATIC NAME: 5-tert-butyl-2-heptan-2-yl-4H-pyrazol-3-one
MOLECULAR FORMULA: C14H26N2O
MOLECULAR WEIGHT: 238.36904
SMILES: CCCCCC(C)N1C(=O)CC(=N1)C(C)(C)C
Structure:
CAS RN: 864685-47-2
CAS Name: 5-tert-butyl-2-cycloheptyl-4H-pyrazol-3-one
OPENEYE Name: 5-tert-butyl-2-cycloheptyl-4H-pyrazol-3-one
IUPAC Name: 5-tert-butyl-2-cycloheptyl-4H-pyrazol-3-one
SYSTEMATIC NAME: 5-tert-butyl-2-cycloheptyl-4H-pyrazol-3-one
MOLECULAR FORMULA: C14H24N2O
MOLECULAR WEIGHT: 236.35316
SMILES: CC(C)(C)C1=NN(C(=O)C1)C2CCCCCC2
Structure:
CAS RN: 864685-46-1
CAS Name: 5-tert-butyl-2-[2-(4-fluorophenoxy)ethyl]-4H-pyrazol-3-one
OPENEYE Name: 5-tert-butyl-2-[2-(4-fluorophenoxy)ethyl]-4H-pyrazol-3-one
IUPAC Name: 5-tert-butyl-2-[2-(4-fluorophenoxy)ethyl]-4H-pyrazol-3-one
SYSTEMATIC NAME: 5-tert-butyl-2-[2-(4-fluoranylphenoxy)ethyl]-4H-pyrazol-3-one
MOLECULAR FORMULA: C15H19FN2O2
MOLECULAR WEIGHT: 278.321963
SMILES: CC(C)(C)C1=NN(C(=O)C1)CCOC2=CC=C(C=C2)F
Structure:
CAS RN: 864685-45-0
CAS Name: 5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one
OPENEYE Name: 5-tert-butyl-2-isopentyl-4H-pyrazol-3-one
IUPAC Name: 5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one
SYSTEMATIC NAME: 5-tert-butyl-2-(3-methylbutyl)-4H-pyrazol-3-one
MOLECULAR FORMULA: C12H22N2O
MOLECULAR WEIGHT: 210.31588
SMILES: CC(C)CCN1C(=O)CC(=N1)C(C)(C)C
Structure:
CAS RN: 151071-03-3
CAS Name: 4-iodo-2-(3-methylbut-2-enyl)phenol
OPENEYE Name: 4-iodo-2-(3-methylbut-2-enyl)phenol
IUPAC Name: 4-iodo-2-(3-methylbut-2-enyl)phenol
SYSTEMATIC NAME: 4-iodanyl-2-(3-methylbut-2-enyl)phenol
MOLECULAR FORMULA: C11H13IO
MOLECULAR WEIGHT: 288.12479
SMILES: CC(=CCC1=C(C=CC(=C1)I)O)C
Structure:
CAS RN: 149507-36-8
CAS Name: [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
OPENEYE Name: [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
IUPAC Name: [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
SYSTEMATIC NAME: [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
MOLECULAR FORMULA: C8H8BF3O3
MOLECULAR WEIGHT: 219.95353
SMILES: B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
Structure:
CAS RN: 182344-23-6
CAS Name: [4-fluoro-3-(trifluoromethyl)phenyl]boronic acid
OPENEYE Name: [4-fluoro-3-(trifluoromethyl)phenyl]boronic acid
IUPAC Name: [4-fluoro-3-(trifluoromethyl)phenyl]boronic acid
SYSTEMATIC NAME: [4-fluoranyl-3-(trifluoromethyl)phenyl]boronic acid
MOLECULAR FORMULA: C7H5BF4O2
MOLECULAR WEIGHT: 207.918013
SMILES: B(C1=CC(=C(C=C1)F)C(F)(F)F)(O)O
Structure:
CAS RN: 864759-68-2
CAS Name: [3-fluoro-4-(trifluoromethyl)phenyl]boronic acid
OPENEYE Name: [3-fluoro-4-(trifluoromethyl)phenyl]boronic acid
IUPAC Name: [3-fluoro-4-(trifluoromethyl)phenyl]boronic acid
SYSTEMATIC NAME: [3-fluoranyl-4-(trifluoromethyl)phenyl]boronic acid
MOLECULAR FORMULA: C7H5BF4O2
MOLECULAR WEIGHT: 207.918013
SMILES: B(C1=CC(=C(C=C1)C(F)(F)F)F)(O)O
Structure:
CAS RN: 864759-67-1
CAS Name: [3-methyl-4-(trifluoromethyl)phenyl]boronic acid
OPENEYE Name: [3-methyl-4-(trifluoromethyl)phenyl]boronic acid
IUPAC Name: [3-methyl-4-(trifluoromethyl)phenyl]boronic acid
SYSTEMATIC NAME: [3-methyl-4-(trifluoromethyl)phenyl]boronic acid
MOLECULAR FORMULA: C8H8BF3O2
MOLECULAR WEIGHT: 203.95413
SMILES: B(C1=CC(=C(C=C1)C(F)(F)F)C)(O)O
Structure:
CAS RN: 864685-44-9
CAS Name: 1-(3-iodophenyl)-1-cyclobutanecarbonitrile
OPENEYE Name: 1-(3-iodophenyl)cyclobutanecarbonitrile
IUPAC Name: 1-(3-iodophenyl)cyclobutane-1-carbonitrile
SYSTEMATIC NAME: 1-(3-iodanylphenyl)cyclobutane-1-carbonitrile
MOLECULAR FORMULA: C11H10IN
MOLECULAR WEIGHT: 283.10827
SMILES: C1CC(C1)(C#N)C2=CC(=CC=C2)I
Structure:
CAS RN: 864759-65-9
CAS Name: (3-fluoro-4,5-dimethylphenyl)boronic acid
OPENEYE Name: (3-fluoro-4,5-dimethyl-phenyl)boronic acid
IUPAC Name: (3-fluoro-4,5-dimethylphenyl)boronic acid
SYSTEMATIC NAME: (3-fluoranyl-4,5-dimethyl-phenyl)boronic acid
MOLECULAR FORMULA: C8H10BFO2
MOLECULAR WEIGHT: 167.973203
SMILES: B(C1=CC(=C(C(=C1)F)C)C)(O)O
Structure:
CAS RN: 208641-98-9
CAS Name: (3,5-difluoro-4-methoxyphenyl)boronic acid
OPENEYE Name: (3,5-difluoro-4-methoxy-phenyl)boronic acid
IUPAC Name: (3,5-difluoro-4-methoxyphenyl)boronic acid
SYSTEMATIC NAME: [3,5-bis(fluoranyl)-4-methoxy-phenyl]boronic acid
MOLECULAR FORMULA: C7H7BF2O3
MOLECULAR WEIGHT: 187.936486
SMILES: B(C1=CC(=C(C(=C1)F)OC)F)(O)O
Structure:
CAS RN: 342636-66-2
CAS Name: (4-fluoro-3,5-dimethylphenyl)boronic acid
OPENEYE Name: (4-fluoro-3,5-dimethyl-phenyl)boronic acid
IUPAC Name: (4-fluoro-3,5-dimethylphenyl)boronic acid
SYSTEMATIC NAME: (4-fluoranyl-3,5-dimethyl-phenyl)boronic acid
MOLECULAR FORMULA: C8H10BFO2
MOLECULAR WEIGHT: 167.973203
SMILES: B(C1=CC(=C(C(=C1)C)F)C)(O)O
Structure:
CAS RN: 864759-64-8
CAS Name: [3,4-difluoro-5-(trifluoromethyl)phenyl]boronic acid
OPENEYE Name: [3,4-difluoro-5-(trifluoromethyl)phenyl]boronic acid
IUPAC Name: [3,4-difluoro-5-(trifluoromethyl)phenyl]boronic acid
SYSTEMATIC NAME: [3,4-bis(fluoranyl)-5-(trifluoromethyl)phenyl]boronic acid
MOLECULAR FORMULA: C7H4BF5O2
MOLECULAR WEIGHT: 225.908476
SMILES: B(C1=CC(=C(C(=C1)F)F)C(F)(F)F)(O)O
Structure:
CAS RN: 864759-63-7
CAS Name: (4-chloro-3,5-difluorophenyl)boronic acid
OPENEYE Name: (4-chloro-3,5-difluoro-phenyl)boronic acid
IUPAC Name: (4-chloro-3,5-difluorophenyl)boronic acid
SYSTEMATIC NAME: [4-chloranyl-3,5-bis(fluoranyl)phenyl]boronic acid
MOLECULAR FORMULA: C6H4BClF2O2
MOLECULAR WEIGHT: 192.355566
SMILES: B(C1=CC(=C(C(=C1)F)Cl)F)(O)O
Structure:
CAS RN: 34576-98-2
CAS Name: 5-bromo-1-benzothiophen-4-ol
OPENEYE Name: 5-bromobenzothiophen-4-ol
IUPAC Name: 5-bromo-1-benzothiophen-4-ol
SYSTEMATIC NAME: 5-bromanyl-1-benzothiophen-4-ol
MOLECULAR FORMULA: C8H5BrOS
MOLECULAR WEIGHT: 229.0937
SMILES: C1=CC(=C(C2=C1SC=C2)O)Br
Structure:
CAS RN: 23799-61-3
CAS Name: 2-(5-bromo-1-benzothiophen-3-yl)acetonitrile
OPENEYE Name: 2-(5-bromobenzothiophen-3-yl)acetonitrile
IUPAC Name: 2-(5-bromo-1-benzothiophen-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(5-bromanyl-1-benzothiophen-3-yl)ethanenitrile
MOLECULAR FORMULA: C10H6BrNS
MOLECULAR WEIGHT: 252.13034
SMILES: C1=CC2=C(C=C1Br)C(=CS2)CC#N
Structure:
CAS RN: 15084-55-6
CAS Name: 7-bromo-3,4-dihydro-2H-1-benzothiepin-5-one
OPENEYE Name: 7-bromo-3,4-dihydro-2H-1-benzothiepin-5-one
IUPAC Name: 7-bromo-3,4-dihydro-2H-1-benzothiepin-5-one
SYSTEMATIC NAME: 7-bromanyl-3,4-dihydro-2H-1-benzothiepin-5-one
MOLECULAR FORMULA: C10H9BrOS
MOLECULAR WEIGHT: 257.14686
SMILES: C1CC(=O)C2=C(C=CC(=C2)Br)SC1
Structure:
CAS RN: 864685-43-8
CAS Name: 5-(1-benzothiophen-3-ylmethyl)-2H-tetrazole
OPENEYE Name: 5-(benzothiophen-3-ylmethyl)-2H-tetrazole
IUPAC Name: 5-(1-benzothiophen-3-ylmethyl)-2H-tetrazole
SYSTEMATIC NAME: 5-(1-benzothiophen-3-ylmethyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C10H8N4S
MOLECULAR WEIGHT: 216.26232
SMILES: C1=CC=C2C(=C1)C(=CS2)CC3=NNN=N3
Structure:
CAS RN: 111359-80-9
CAS Name: 3-(2H-tetrazol-5-yl)isoquinoline
OPENEYE Name: 3-(2H-tetrazol-5-yl)isoquinoline
IUPAC Name: 3-(2H-tetrazol-5-yl)isoquinoline
SYSTEMATIC NAME: 3-(2H-1,2,3,4-tetrazol-5-yl)isoquinoline
MOLECULAR FORMULA: C10H7N5
MOLECULAR WEIGHT: 197.19608
SMILES: C1=CC=C2C=NC(=CC2=C1)C3=NNN=N3
Structure:
CAS RN: 150459-79-3
CAS Name: 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-2-carbonitrile
OPENEYE Name: 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-2-carbonitrile
IUPAC Name: 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-2-carbonitrile
SYSTEMATIC NAME: 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-2-carbonitrile
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: C1CCC2=C(CC1)N=C(C=C2)C#N
Structure:
CAS RN: 22780-71-8
CAS Name: 1-benzothiophene-7-carbonitrile
OPENEYE Name: benzothiophene-7-carbonitrile
IUPAC Name: 1-benzothiophene-7-carbonitrile
SYSTEMATIC NAME: 1-benzothiophene-7-carbonitrile
MOLECULAR FORMULA: C9H5NS
MOLECULAR WEIGHT: 159.2077
SMILES: C1=CC(=C2C(=C1)C=CS2)C#N
Structure:
CAS RN: 17514-70-4
CAS Name: 7-bromo-3-methyl-1-benzothiophene
OPENEYE Name: 7-bromo-3-methyl-benzothiophene
IUPAC Name: 7-bromo-3-methyl-1-benzothiophene
SYSTEMATIC NAME: 7-bromanyl-3-methyl-1-benzothiophene
MOLECULAR FORMULA: C9H7BrS
MOLECULAR WEIGHT: 227.12088
SMILES: CC1=CSC2=C1C=CC=C2Br
Structure:
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