Product OPENEYE NAME: 2,4-dimethyl-4-(methylsulfanylmethyl)-3,1-benzoxazine
CAS Name: 2,4-dimethyl-4-[(methylthio)methyl]-3,1-benzoxazine
IUPAC NAME: 2,4-dimethyl-4-(methylsulfanylmethyl)-3,1-benzoxazine
SYSTEMATIC NAME: 2,4-dimethyl-4-(methylsulfanylmethyl)-3,1-benzoxazine
MOLECULAR FORMULA: C12H15NOS
MOLECULAR WEIGHT: 221.3186
SMILES: CC1=NC2=CC=CC=C2C(O1)(C)CSC
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Product OPENEYE NAME: imidazo[1,2-a]pyridin-3-ylmethanol
CAS Name: 3-imidazo[1,2-a]pyridinylmethanol
IUPAC NAME: imidazo[1,2-a]pyridin-3-ylmethanol
SYSTEMATIC NAME: imidazo[1,2-a]pyridin-3-ylmethanol
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: C1=CC2=NC=C(N2C=C1)CO
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Product OPENEYE NAME: imidazo[1,2-a]pyrazin-3-ylmethanol
CAS Name: 3-imidazo[1,2-a]pyrazinylmethanol
IUPAC NAME: imidazo[1,2-a]pyrazin-3-ylmethanol
SYSTEMATIC NAME: imidazo[1,2-a]pyrazin-3-ylmethanol
MOLECULAR FORMULA: C7H7N3O
MOLECULAR WEIGHT: 149.14998
SMILES: C1=CN2C(=CN=C2C=N1)CO
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Product OPENEYE NAME: imidazo[1,2-a]pyrazine-3-carbaldehyde
CAS Name: 3-imidazo[1,2-a]pyrazinecarboxaldehyde
IUPAC NAME: imidazo[1,2-a]pyrazine-3-carbaldehyde
SYSTEMATIC NAME: imidazo[1,2-a]pyrazine-3-carbaldehyde
MOLECULAR FORMULA: C7H5N3O
MOLECULAR WEIGHT: 147.1341
SMILES: C1=CN2C(=CN=C2C=N1)C=O
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Product OPENEYE NAME: 3-[(1S,2S,3S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-3-carbonyl]oxazolidin-2-one
CAS Name: 3-[[(1S,2S,3S,4R)-2-methyl-3-bicyclo[2.2.1]hept-5-enyl]-oxomethyl]-2-oxazolidinone
IUPAC NAME: 3-[(1S,2S,3S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-3-carbonyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[[(1S,2S,3S,4R)-2-methyl-3-bicyclo[2.2.1]hept-5-enyl]carbonyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: C[C@H]1[C@H]2C[C@@H]([C@H]1C(=O)N3CCOC3=O)C=C2
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Product OPENEYE NAME: 3-[(1R,2S,3S,4S)-2-phenylbicyclo[2.2.1]hept-5-ene-3-carbonyl]oxazolidin-2-one
CAS Name: 3-[oxo-[(1R,2S,3S,4S)-2-phenyl-3-bicyclo[2.2.1]hept-5-enyl]methyl]-2-oxazolidinone
IUPAC NAME: 3-[(1R,2S,3S,4S)-2-phenylbicyclo[2.2.1]hept-5-ene-3-carbonyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[[(1R,2S,3S,4S)-2-phenyl-3-bicyclo[2.2.1]hept-5-enyl]carbonyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C17H17NO3
MOLECULAR WEIGHT: 283.32178
SMILES: C1COC(=O)N1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C4=CC=CC=C4)C=C3
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Product OPENEYE NAME: 3-[(1S,2R,3S,4R)-2-propylbicyclo[2.2.1]hept-5-ene-3-carbonyl]oxazolidin-2-one
CAS Name: 3-[oxo-[(1S,2R,3S,4R)-2-propyl-3-bicyclo[2.2.1]hept-5-enyl]methyl]-2-oxazolidinone
IUPAC NAME: 3-[(1S,2R,3S,4R)-2-propylbicyclo[2.2.1]hept-5-ene-3-carbonyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[[(1S,2R,3S,4R)-2-propyl-3-bicyclo[2.2.1]hept-5-enyl]carbonyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CCC[C@@H]1[C@H]2C[C@@H]([C@@H]1C(=O)N3CCOC3=O)C=C2
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Product OPENEYE NAME: [5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenyl-methanol
CAS Name: [5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
IUPAC NAME: [5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol
SYSTEMATIC NAME: [2-methyl-5-[oxidanyl(diphenyl)methyl]-2-phenyl-1,3-dioxolan-4-yl]-diphenyl-methanol
MOLECULAR FORMULA: C36H32O4
MOLECULAR WEIGHT: 528.63688
SMILES: CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C6=CC=CC=C6
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Product OPENEYE NAME: (5E)-5-benzylidene-6-methylene-cyclohexa-1,3-diene
CAS Name: (6E)-5-methylene-6-(phenylmethylene)cyclohexa-1,3-diene
IUPAC NAME: (5E)-5-benzylidene-6-methylidenecyclohexa-1,3-diene
SYSTEMATIC NAME: (6E)-5-methylidene-6-(phenylmethylidene)cyclohexa-1,3-diene
MOLECULAR FORMULA: C14H12
MOLECULAR WEIGHT: 180.24508
SMILES: C=C\1C=CC=C/C1=C\C2=CC=CC=C2
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Product OPENEYE NAME: 2-[bis(2-hydroxyethyl)amino]butan-1-ol
CAS Name: 2-[bis(2-hydroxyethyl)amino]-1-butanol
IUPAC NAME: 2-[bis(2-hydroxyethyl)amino]butan-1-ol
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]butan-1-ol
MOLECULAR FORMULA: C8H19NO3
MOLECULAR WEIGHT: 177.24136
SMILES: CCC(CO)N(CCO)CCO
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Product OPENEYE NAME: (2-chlorophenyl)-triethoxy-silane
CAS Name: (2-chlorophenyl)-triethoxysilane
IUPAC NAME: (2-chlorophenyl)-triethoxysilane
SYSTEMATIC NAME: (2-chlorophenyl)-triethoxy-silane
MOLECULAR FORMULA: C12H19ClO3Si
MOLECULAR WEIGHT: 274.81596
SMILES: CCO[Si](C1=CC=CC=C1Cl)(OCC)OCC
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Product OPENEYE NAME: triethoxy(o-tolyl)silane
CAS Name: triethoxy-(2-methylphenyl)silane
IUPAC NAME: triethoxy-(2-methylphenyl)silane
SYSTEMATIC NAME: triethoxy-(2-methylphenyl)silane
MOLECULAR FORMULA: C13H22O3Si
MOLECULAR WEIGHT: 254.39748
SMILES: CCO[Si](C1=CC=CC=C1C)(OCC)OCC
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Product OPENEYE NAME: (2E)-2-(p-tolylmethylene)butanal
CAS Name: (2E)-2-[(4-methylphenyl)methylidene]butanal
IUPAC NAME: (2E)-2-[(4-methylphenyl)methylidene]butanal
SYSTEMATIC NAME: (2E)-2-[(4-methylphenyl)methylidene]butanal
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: CC/C(=C\C1=CC=C(C=C1)C)/C=O
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Product OPENEYE NAME: (2E)-2-[(4-methoxyphenyl)methylene]butanal
CAS Name: (2E)-2-[(4-methoxyphenyl)methylidene]butanal
IUPAC NAME: (2E)-2-[(4-methoxyphenyl)methylidene]butanal
SYSTEMATIC NAME: (2E)-2-[(4-methoxyphenyl)methylidene]butanal
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CC/C(=C\C1=CC=C(C=C1)OC)/C=O
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Product OPENEYE NAME: (E,1E)-3-(4-chlorophenyl)-2-methyl-prop-2-enal oxime
CAS Name: (E,1E)-3-(4-chlorophenyl)-2-methyl-2-propenal oxime
IUPAC NAME: (NE)-N-[(E)-3-(4-chlorophenyl)-2-methylprop-2-enylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(E)-3-(4-chlorophenyl)-2-methyl-prop-2-enylidene]hydroxylamine
MOLECULAR FORMULA: C10H10ClNO
MOLECULAR WEIGHT: 195.6455
SMILES: C/C(=C\C1=CC=C(C=C1)Cl)/C=N/O
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Product OPENEYE NAME: magnesium 2-methyl-2-phenyl-1,3-dioxolane bromide
CAS Name: magnesium 2-methyl-2-phenyl-1,3-dioxolane bromide
IUPAC NAME: magnesium 2-methyl-2-phenyl-1,3-dioxolane bromide
SYSTEMATIC NAME: magnesium 2-methyl-2-phenyl-1,3-dioxolane bromide
MOLECULAR FORMULA: C10H11BrMgO2
MOLECULAR WEIGHT: 267.40214
SMILES: CC1(OCCO1)C2=C[C-]=CC=C2.[Mg+2].[Br-]
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Product OPENEYE NAME: 1-[3-[3-(3-acetylphenyl)propyl]phenyl]ethanone
CAS Name: 1-[3-[3-(3-acetylphenyl)propyl]phenyl]ethanone
IUPAC NAME: 1-[3-[3-(3-acetylphenyl)propyl]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[3-(3-ethanoylphenyl)propyl]phenyl]ethanone
MOLECULAR FORMULA: C19H20O2
MOLECULAR WEIGHT: 280.3609
SMILES: CC(=O)C1=CC(=CC=C1)CCCC2=CC=CC(=C2)C(=O)C
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Product OPENEYE NAME: 1-bromo-7-methyl-octane
CAS Name: 1-bromo-7-methyloctane
IUPAC NAME: 1-bromo-7-methyloctane
SYSTEMATIC NAME: 1-bromanyl-7-methyl-octane
MOLECULAR FORMULA: C9H19Br
MOLECULAR WEIGHT: 207.15116
SMILES: CC(C)CCCCCCBr
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Product OPENEYE NAME: [methylsulfanyl(phenoxy)phosphoryl]oxybenzene
CAS Name: [(methylthio)-phenoxyphosphoryl]oxybenzene
IUPAC NAME: [methylsulfanyl(phenoxy)phosphoryl]oxybenzene
SYSTEMATIC NAME: [methylsulfanyl(phenoxy)phosphoryl]oxybenzene
MOLECULAR FORMULA: C13H13O3PS
MOLECULAR WEIGHT: 280.279281
SMILES: CSP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
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Product OPENEYE NAME: (E)-6,6,6-trifluoro-4-(trifluoromethyl)hex-4-en-3-one
CAS Name: (E)-6,6,6-trifluoro-4-(trifluoromethyl)-4-hexen-3-one
IUPAC NAME: (E)-6,6,6-trifluoro-4-(trifluoromethyl)hex-4-en-3-one
SYSTEMATIC NAME: (E)-6,6,6-tris(fluoranyl)-4-(trifluoromethyl)hex-4-en-3-one
MOLECULAR FORMULA: C7H6F6O
MOLECULAR WEIGHT: 220.112359
SMILES: CCC(=O)/C(=C\C(F)(F)F)/C(F)(F)F
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Product OPENEYE NAME: (Z)-6,6,6-trifluoro-4-(trifluoromethyl)hex-4-en-3-one
CAS Name: (Z)-6,6,6-trifluoro-4-(trifluoromethyl)-4-hexen-3-one
IUPAC NAME: (Z)-6,6,6-trifluoro-4-(trifluoromethyl)hex-4-en-3-one
SYSTEMATIC NAME: (Z)-6,6,6-tris(fluoranyl)-4-(trifluoromethyl)hex-4-en-3-one
MOLECULAR FORMULA: C7H6F6O
MOLECULAR WEIGHT: 220.112359
SMILES: CCC(=O)/C(=C/C(F)(F)F)/C(F)(F)F
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Product OPENEYE NAME: 4,5-bis(trifluoromethyl)octane-3,6-dione
CAS Name: 4,5-bis(trifluoromethyl)octane-3,6-dione
IUPAC NAME: 4,5-bis(trifluoromethyl)octane-3,6-dione
SYSTEMATIC NAME: 4,5-bis(trifluoromethyl)octane-3,6-dione
MOLECULAR FORMULA: C10H12F6O2
MOLECULAR WEIGHT: 278.191499
SMILES: CCC(=O)C(C(C(=O)CC)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 3-pyridazin-3-ylaniline
CAS Name: 3-(3-pyridazinyl)aniline
IUPAC NAME: 3-pyridazin-3-ylaniline
SYSTEMATIC NAME: 3-pyridazin-3-ylaniline
MOLECULAR FORMULA: C10H9N3
MOLECULAR WEIGHT: 171.19856
SMILES: C1=CC(=CC(=C1)N)C2=NN=CC=C2
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