Product OPENEYE NAME: N,N'-bis(3-chloro-2-methyl-phenyl)methanediimine
CAS Name: N,N'-bis(3-chloro-2-methylphenyl)methanediimine
IUPAC NAME: N,N'-bis(3-chloro-2-methylphenyl)methanediimine
SYSTEMATIC NAME: N,N'-bis(3-chloranyl-2-methyl-phenyl)methanediimine
MOLECULAR FORMULA: C15H12Cl2N2
MOLECULAR WEIGHT: 291.17518
SMILES: CC1=C(C=CC=C1Cl)N=C=NC2=C(C(=CC=C2)Cl)C
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Product OPENEYE NAME: 2,4-dinitro-N-phenyl-aniline
CAS Name: 2,4-dinitro-N-phenylaniline
IUPAC NAME: 2,4-dinitro-N-phenylaniline
SYSTEMATIC NAME: 2,4-dinitro-N-phenyl-aniline
MOLECULAR FORMULA: C12H9N3O4
MOLECULAR WEIGHT: 259.21756
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-[(3-ethoxy-1-methyl-3-oxo-prop-1-enyl)amino]-2-phenyl-acetic acid
CAS Name: 2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid
IUPAC NAME: 2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[(4-ethoxy-4-oxidanylidene-but-2-en-2-yl)amino]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C14H17NO4
MOLECULAR WEIGHT: 263.28908
SMILES: CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: N'-benzyl-N,N-dimethyl-N'-phenyl-ethane-1,2-diamine
CAS Name: N,N-dimethyl-N'-phenyl-N'-(phenylmethyl)ethane-1,2-diamine
IUPAC NAME: N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine
SYSTEMATIC NAME: N,N-dimethyl-N'-phenyl-N'-(phenylmethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C17H22N2
MOLECULAR WEIGHT: 254.36998
SMILES: CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 3-methyl-5-(4-nitrophenyl)azo-2-thioxo-thiazolidin-4-one
CAS Name: 3-methyl-5-(4-nitrophenyl)azo-2-sulfanylidene-4-thiazolidinone
IUPAC NAME: 3-methyl-5-[(4-nitrophenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-methyl-5-[(4-nitrophenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H8N4O3S2
MOLECULAR WEIGHT: 296.32552
SMILES: CN1C(=O)C(SC1=S)N=NC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: diethyl (2-isopropyl-6-methyl-pyrimidin-4-yl) phosphate
CAS Name: phosphoric acid diethyl (6-methyl-2-propan-2-yl-4-pyrimidinyl) ester
IUPAC NAME: diethyl (6-methyl-2-propan-2-ylpyrimidin-4-yl) phosphate
SYSTEMATIC NAME: diethyl (6-methyl-2-propan-2-yl-pyrimidin-4-yl) phosphate
MOLECULAR FORMULA: C12H21N2O4P
MOLECULAR WEIGHT: 288.279901
SMILES: CCOP(=O)(OCC)OC1=NC(=NC(=C1)C)C(C)C
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Product OPENEYE NAME: 4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide
CAS Name: 4-amino-N-(6-ethoxy-3-pyridazinyl)benzenesulfonamide
IUPAC NAME: 4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide
MOLECULAR FORMULA: C12H14N4O3S
MOLECULAR WEIGHT: 294.32956
SMILES: CCOC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
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Product OPENEYE NAME: 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C15H11ClN2O2
MOLECULAR WEIGHT: 286.71304
SMILES: C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 7,9-dimethylbenzo[c]acridine
CAS Name: 7,9-dimethylbenzo[c]acridine
IUPAC NAME: 7,9-dimethylbenzo[c]acridine
SYSTEMATIC NAME: 7,9-dimethylbenzo[c]acridine
MOLECULAR FORMULA: C19H15N
MOLECULAR WEIGHT: 257.3291
SMILES: CC1=CC2=C(C=C1)N=C3C(=C2C)C=CC4=CC=CC=C43
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Product OPENEYE NAME: 2-(4-acetoxy-2-isopropyl-5-methyl-phenoxy)ethyl-dimethyl-ammonium chloride
CAS Name: 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylammonium chloride
IUPAC NAME: 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
SYSTEMATIC NAME: 2-(4-acetyloxy-5-methyl-2-propan-2-yl-phenoxy)ethyl-dimethyl-azanium chloride
MOLECULAR FORMULA: C16H26ClNO3
MOLECULAR WEIGHT: 315.83554
SMILES: CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC[NH+](C)C.[Cl-]
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Product OPENEYE NAME: N-(m-tolyl)-2,4-dinitro-aniline
CAS Name: N-(3-methylphenyl)-2,4-dinitroaniline
IUPAC NAME: N-(3-methylphenyl)-2,4-dinitroaniline
SYSTEMATIC NAME: N-(3-methylphenyl)-2,4-dinitro-aniline
MOLECULAR FORMULA: C13H11N3O4
MOLECULAR WEIGHT: 273.24414
SMILES: CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole
CAS Name: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole
IUPAC NAME: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole
MOLECULAR FORMULA: C16H12N2S2
MOLECULAR WEIGHT: 296.40988
SMILES: C1=CC=C2C(=C1)N=C(S2)CCC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 3-(diethylamino)-N-(5-ethyl-2-fluoro-phenyl)butanamide
CAS Name: 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
IUPAC NAME: 3-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
SYSTEMATIC NAME: 3-(diethylamino)-N-(5-ethyl-2-fluoranyl-phenyl)butanamide
MOLECULAR FORMULA: C16H25FN2O
MOLECULAR WEIGHT: 280.380903
SMILES: CCC1=CC(=C(C=C1)F)NC(=O)CC(C)N(CC)CC
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Product OPENEYE NAME: benzyl-decyl-dimethyl-ammonium chloride
CAS Name: decyl-dimethyl-(phenylmethyl)ammonium chloride
IUPAC NAME: benzyl-decyl-dimethylazanium chloride
SYSTEMATIC NAME: decyl-dimethyl-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C19H34ClN
MOLECULAR WEIGHT: 311.93296
SMILES: CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: benzyl-decyl-dimethyl-ammonium
CAS Name: decyl-dimethyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-decyl-dimethylazanium
SYSTEMATIC NAME: decyl-dimethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C19H34N+
MOLECULAR WEIGHT: 276.47996
SMILES: CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
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Product OPENEYE NAME: 4-hydroxy-N-[(5-nitro-2-furyl)methyleneamino]benzamide
CAS Name: 4-hydroxy-N-[(5-nitro-2-furanyl)methylideneamino]benzamide
IUPAC NAME: 4-hydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SYSTEMATIC NAME: N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C12H9N3O5
MOLECULAR WEIGHT: 275.21696
SMILES: C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])O
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Product OPENEYE NAME: (8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CAS Name: (8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
IUPAC NAME: (8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C20H32O
MOLECULAR WEIGHT: 288.46748
SMILES: CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O
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Product OPENEYE NAME: (17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CAS Name: (17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17S)-13,17-dimethyl-17-oxidanyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: C[C@@]1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O
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Product OPENEYE NAME: 7-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
CAS Name: 7-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
IUPAC NAME: 7-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
SYSTEMATIC NAME: 7-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
MOLECULAR FORMULA: C19H16O2
MOLECULAR WEIGHT: 276.32914
SMILES: CC1=C2C(C(C3=CC=CC=C3C2=CC4=CC=CC=C14)O)O
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Product OPENEYE NAME: 2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenyl-acetate
CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(dimethylamino)ethyl ester
IUPAC NAME: 2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
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Product OPENEYE NAME: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
CAS Name: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f][1]benzopyran-2,8-dione
IUPAC NAME: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
SYSTEMATIC NAME: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22ClN
MOLECULAR WEIGHT: 323.85908
SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.Cl
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