Product OPENEYE NAME: 5-tert-butyl-2-(2-phenoxyethyl)pyrazole-3,4-dione
CAS Name: 5-tert-butyl-2-(2-phenoxyethyl)pyrazole-3,4-dione
IUPAC NAME: 5-tert-butyl-2-(2-phenoxyethyl)pyrazole-3,4-dione
SYSTEMATIC NAME: 5-tert-butyl-2-(2-phenoxyethyl)pyrazole-3,4-dione
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: CC(C)(C)C1=NN(C(=O)C1=O)CCOC2=CC=CC=C2
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Product OPENEYE NAME: 5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione
CAS Name: 5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione
IUPAC NAME: 5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione
SYSTEMATIC NAME: 5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: CC1=NN(C(=O)C1=O)CCOC2=CC=CC=C2
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Product OPENEYE NAME: 1-(2-methyltetrahydropyran-2-yl)ethanone
CAS Name: 1-(2-methyl-2-oxanyl)ethanone
IUPAC NAME: 1-(2-methyloxan-2-yl)ethanone
SYSTEMATIC NAME: 1-(2-methyloxan-2-yl)ethanone
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC(=O)C1(CCCCO1)C
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Product OPENEYE NAME: 2-bromo-1-(2-methyltetrahydropyran-2-yl)ethanone
CAS Name: 2-bromo-1-(2-methyl-2-oxanyl)ethanone
IUPAC NAME: 2-bromo-1-(2-methyloxan-2-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(2-methyloxan-2-yl)ethanone
MOLECULAR FORMULA: C8H13BrO2
MOLECULAR WEIGHT: 221.09162
SMILES: CC1(CCCCO1)C(=O)CBr
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Product OPENEYE NAME: N-[2-[2-chloro-4-(trifluoromethoxy)phenyl]-4-cyano-pyrazol-3-yl]-N-propyl-propanamide
CAS Name: N-[2-[2-chloro-4-(trifluoromethoxy)phenyl]-4-cyano-3-pyrazolyl]-N-propylpropanamide
IUPAC NAME: N-[2-[2-chloro-4-(trifluoromethoxy)phenyl]-4-cyanopyrazol-3-yl]-N-propylpropanamide
SYSTEMATIC NAME: N-[2-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-4-cyano-pyrazol-3-yl]-N-propyl-propanamide
MOLECULAR FORMULA: C17H16ClF3N4O2
MOLECULAR WEIGHT: 400.78275
SMILES: CCCN(C1=C(C=NN1C2=C(C=C(C=C2)OC(F)(F)F)Cl)C#N)C(=O)CC
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Product OPENEYE NAME: 1-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-5-(isopropylamino)pyrazole-4-carbonitrile
CAS Name: 1-[2,6-dichloro-4-(trifluoromethylthio)phenyl]-5-(propan-2-ylamino)-4-pyrazolecarbonitrile
IUPAC NAME: 1-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-5-(propan-2-ylamino)pyrazole-4-carbonitrile
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)-4-(trifluoromethylsulfanyl)phenyl]-5-(propan-2-ylamino)pyrazole-4-carbonitrile
MOLECULAR FORMULA: C14H11Cl2F3N4S
MOLECULAR WEIGHT: 395.23015
SMILES: CC(C)NC1=C(C=NN1C2=C(C=C(C=C2Cl)SC(F)(F)F)Cl)C#N
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Product OPENEYE NAME: 1-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(propylamino)pyrazole-4-carbonitrile
CAS Name: 1-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(propylamino)-4-pyrazolecarbonitrile
IUPAC NAME: 1-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(propylamino)pyrazole-4-carbonitrile
SYSTEMATIC NAME: 1-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-5-(propylamino)pyrazole-4-carbonitrile
MOLECULAR FORMULA: C14H12ClF3N4O
MOLECULAR WEIGHT: 344.71949
SMILES: CCCNC1=C(C=NN1C2=C(C=C(C=C2)OC(F)(F)F)Cl)C#N
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Product OPENEYE NAME: 1-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
CAS Name: 1-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(methylamino)-4-pyrazolecarbonitrile
IUPAC NAME: 1-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
SYSTEMATIC NAME: 1-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
MOLECULAR FORMULA: C12H8ClF3N4O
MOLECULAR WEIGHT: 316.66633
SMILES: CNC1=C(C=NN1C2=C(C=C(C=C2)OC(F)(F)F)Cl)C#N
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Product OPENEYE NAME: 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
CAS Name: 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-5-(methylamino)-4-pyrazolecarbonitrile
IUPAC NAME: 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)-4-(trifluoromethyloxy)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
MOLECULAR FORMULA: C12H7Cl2F3N4O
MOLECULAR WEIGHT: 351.11139
SMILES: CNC1=C(C=NN1C2=C(C=C(C=C2Cl)OC(F)(F)F)Cl)C#N
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Product OPENEYE NAME: 2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azepine
CAS Name: 2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azepine
IUPAC NAME: 2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azepine
SYSTEMATIC NAME: 2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azepine
MOLECULAR FORMULA: C9H16N2
MOLECULAR WEIGHT: 152.23674
SMILES: C1CCC2=CNCCN2CC1
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Product OPENEYE NAME: 3-[4-(trifluoromethyl)phenoxy]phenol
CAS Name: 3-[4-(trifluoromethyl)phenoxy]phenol
IUPAC NAME: 3-[4-(trifluoromethyl)phenoxy]phenol
SYSTEMATIC NAME: 3-[4-(trifluoromethyl)phenoxy]phenol
MOLECULAR FORMULA: C13H9F3O2
MOLECULAR WEIGHT: 254.20457
SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(F)(F)F)O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: CN1CC(C=C2C1CC3=CN(C4=CC=CC2=C34)C)C(=O)O
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MOLECULAR FORMULA: C18H24N2O2
MOLECULAR WEIGHT: 300.39536
SMILES: CN1C[C@H](C[C@@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)CO
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Product OPENEYE NAME: 2-hexyl-3-methyl-butanedioic acid
CAS Name: 2-hexyl-3-methylbutanedioic acid
IUPAC NAME: 2-hexyl-3-methylbutanedioic acid
SYSTEMATIC NAME: 2-hexyl-3-methyl-butanedioic acid
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: CCCCCCC(C(C)C(=O)O)C(=O)O
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Product OPENEYE NAME: 3-methoxycarbonyl-2-methylene-nonanoic acid
CAS Name: 3-methoxycarbonyl-2-methylenenonanoic acid
IUPAC NAME: 3-methoxycarbonyl-2-methylidenenonanoic acid
SYSTEMATIC NAME: 3-methoxycarbonyl-2-methylidene-nonanoic acid
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: CCCCCCC(C(=C)C(=O)O)C(=O)OC
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Product OPENEYE NAME: 2-butanoyl-5-(4-methoxy-3-nitro-phenyl)cyclohexane-1,3-dione
CAS Name: 5-(4-methoxy-3-nitrophenyl)-2-(1-oxobutyl)cyclohexane-1,3-dione
IUPAC NAME: 2-butanoyl-5-(4-methoxy-3-nitrophenyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-butanoyl-5-(4-methoxy-3-nitro-phenyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C17H19NO6
MOLECULAR WEIGHT: 333.33586
SMILES: CCCC(=O)C1C(=O)CC(CC1=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]
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Product OPENEYE NAME: N-[5-[4-(1-hydroxybutylidene)-3,5-dioxo-cyclohexyl]-2-methoxy-phenyl]acetamide
CAS Name: N-[5-[4-(1-hydroxybutylidene)-3,5-dioxocyclohexyl]-2-methoxyphenyl]acetamide
IUPAC NAME: N-[5-[4-(1-hydroxybutylidene)-3,5-dioxocyclohexyl]-2-methoxyphenyl]acetamide
SYSTEMATIC NAME: N-[2-methoxy-5-[4-(1-oxidanylbutylidene)-3,5-bis(oxidanylidene)cyclohexyl]phenyl]ethanamide
MOLECULAR FORMULA: C19H23NO5
MOLECULAR WEIGHT: 345.38962
SMILES: CCCC(=C1C(=O)CC(CC1=O)C2=CC(=C(C=C2)OC)NC(=O)C)O
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Product OPENEYE NAME: N-[5-[4-[1-(allyloxyamino)butylidene]-3,5-dioxo-cyclohexyl]-2-methoxy-phenyl]acetamide
CAS Name: N-[5-[3,5-dioxo-4-[1-(prop-2-enoxyamino)butylidene]cyclohexyl]-2-methoxyphenyl]acetamide
IUPAC NAME: N-[5-[3,5-dioxo-4-[1-(prop-2-enoxyamino)butylidene]cyclohexyl]-2-methoxyphenyl]acetamide
SYSTEMATIC NAME: N-[5-[3,5-bis(oxidanylidene)-4-[1-(prop-2-enoxyamino)butylidene]cyclohexyl]-2-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C22H28N2O5
MOLECULAR WEIGHT: 400.46812
SMILES: CCCC(=C1C(=O)CC(CC1=O)C2=CC(=C(C=C2)OC)NC(=O)C)NOCC=C
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Product OPENEYE NAME: 5-(3-amino-4-methoxy-phenyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
CAS Name: 5-(3-amino-4-methoxyphenyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
IUPAC NAME: 5-(3-amino-4-methoxyphenyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(3-azanyl-4-methoxy-phenyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
MOLECULAR FORMULA: C19H26N2O4
MOLECULAR WEIGHT: 346.42074
SMILES: CCCC(=C1C(=O)CC(CC1=O)C2=CC(=C(C=C2)OC)N)NOCC
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Product OPENEYE NAME: 5-(2-fluorophenyl)cyclohexane-1,3-dione
CAS Name: 5-(2-fluorophenyl)cyclohexane-1,3-dione
IUPAC NAME: 5-(2-fluorophenyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(2-fluorophenyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C12H11FO2
MOLECULAR WEIGHT: 206.212943
SMILES: C1C(CC(=O)CC1=O)C2=CC=CC=C2F
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Product OPENEYE NAME: 5-(2-fluoro-5-nitro-phenyl)cyclohexane-1,3-dione
CAS Name: 5-(2-fluoro-5-nitrophenyl)cyclohexane-1,3-dione
IUPAC NAME: 5-(2-fluoro-5-nitrophenyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(2-fluoranyl-5-nitro-phenyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C12H10FNO4
MOLECULAR WEIGHT: 251.210503
SMILES: C1C(CC(=O)CC1=O)C2=C(C=CC(=C2)[N+](=O)[O-])F
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Product OPENEYE NAME: 5-(2-fluoro-5-nitro-phenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione
CAS Name: 5-(2-fluoro-5-nitrophenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione
IUPAC NAME: 5-(2-fluoro-5-nitrophenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(2-fluoranyl-5-nitro-phenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione
MOLECULAR FORMULA: C16H16FNO5
MOLECULAR WEIGHT: 321.300343
SMILES: CCCC(=C1C(=O)CC(CC1=O)C2=C(C=CC(=C2)[N+](=O)[O-])F)O
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Product OPENEYE NAME: 2-[1-(ethoxyamino)butylidene]-5-(2-fluoro-5-nitro-phenyl)cyclohexane-1,3-dione
CAS Name: 2-[1-(ethoxyamino)butylidene]-5-(2-fluoro-5-nitrophenyl)cyclohexane-1,3-dione
IUPAC NAME: 2-[1-(ethoxyamino)butylidene]-5-(2-fluoro-5-nitrophenyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-(ethoxyamino)butylidene]-5-(2-fluoranyl-5-nitro-phenyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C18H21FN2O5
MOLECULAR WEIGHT: 364.368143
SMILES: CCCC(=C1C(=O)CC(CC1=O)C2=C(C=CC(=C2)[N+](=O)[O-])F)NOCC
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