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MOLECULAR FORMULA: C31H27N3O4
MOLECULAR WEIGHT: 505.56378
SMILES: CCOC(=O)C1=C([C@@H]2C3=C([C@H]1N2C)C=C4C(=C3)C(=NN=C4C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OCC
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Product OPENEYE NAME: 3,5-dimethyl-1-(1-phenylcyclohexyl)piperidine
CAS Name: 3,5-dimethyl-1-(1-phenylcyclohexyl)piperidine
IUPAC NAME: 3,5-dimethyl-1-(1-phenylcyclohexyl)piperidine
SYSTEMATIC NAME: 3,5-dimethyl-1-(1-phenylcyclohexyl)piperidine
MOLECULAR FORMULA: C19H29N
MOLECULAR WEIGHT: 271.44026
SMILES: CC1CC(CN(C1)C2(CCCCC2)C3=CC=CC=C3)C
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Product OPENEYE NAME: 3-[(Z)-2-ethyl-3-(2-hydroxy-6-methyl-4-oxo-pyran-3-yl)hex-1-enyl]-2-hydroxy-6-methyl-pyran-4-one
CAS Name: 3-[(Z)-2-ethyl-3-(2-hydroxy-6-methyl-4-oxo-3-pyranyl)hex-1-enyl]-2-hydroxy-6-methyl-4-pyranone
IUPAC NAME: 3-[(Z)-2-ethyl-3-(2-hydroxy-6-methyl-4-oxopyran-3-yl)hex-1-enyl]-2-hydroxy-6-methylpyran-4-one
SYSTEMATIC NAME: 3-[(Z)-2-ethyl-3-(6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl)hex-1-enyl]-6-methyl-2-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C20H24O6
MOLECULAR WEIGHT: 360.40096
SMILES: CCCC(C1=C(OC(=CC1=O)C)O)/C(=C\C2=C(OC(=CC2=O)C)O)/CC
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Product OPENEYE NAME: (E)-(2-dithiocarboxyhydrazino)-indazol-3-ylidene-methanolate
CAS Name: (E)-(dithiocarboxyhydrazo)-(3-indazolylidene)methanolate
IUPAC NAME: (E)-(2-dithiocarboxyhydrazinyl)-indazol-3-ylidenemethanolate
SYSTEMATIC NAME: (E)-(2-dithiocarboxyhydrazinyl)-indazol-3-ylidene-methanolate
MOLECULAR FORMULA: C9H7N4OS2-
MOLECULAR WEIGHT: 251.30808
SMILES: C1=CC=C2C(=C1)/C(=C(/NNC(=S)S)\[O-])/N=N2
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Product OPENEYE NAME: 1-azido-[1,2,4]triazino[4,5-b]indazole
CAS Name: 1-azido-[1,2,4]triazino[4,5-b]indazole
IUPAC NAME: 1-azido-[1,2,4]triazino[4,5-b]indazole
SYSTEMATIC NAME: 1-azido-[1,2,4]triazino[4,5-b]indazole
MOLECULAR FORMULA: C9H5N7
MOLECULAR WEIGHT: 211.1829
SMILES: C1=CC2=C3C(=NN=CN3N=C2C=C1)N=[N+]=[N-]
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Product OPENEYE NAME: 3,6-bis(ethylsulfanyl)pyridine-2-carboxylic acid
CAS Name: 3,6-bis(ethylthio)-2-pyridinecarboxylic acid
IUPAC NAME: 3,6-bis(ethylsulfanyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 3,6-bis(ethylsulfanyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C10H13NO2S2
MOLECULAR WEIGHT: 243.34572
SMILES: CCSC1=C(N=C(C=C1)SCC)C(=O)O
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Product OPENEYE NAME: [(2S,3S)-3-acetoxy-5,6-diphenyl-2,3-dihydropyrazin-2-yl] acetate
CAS Name: acetic acid [(2S,3S)-3-acetyloxy-5,6-diphenyl-2,3-dihydropyrazin-2-yl] ester
IUPAC NAME: [(2S,3S)-3-acetyloxy-5,6-diphenyl-2,3-dihydropyrazin-2-yl] acetate
SYSTEMATIC NAME: [(2S,3S)-3-acetyloxy-5,6-diphenyl-2,3-dihydropyrazin-2-yl] ethanoate
MOLECULAR FORMULA: C20H18N2O4
MOLECULAR WEIGHT: 350.36792
SMILES: CC(=O)O[C@H]1[C@@H](N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C
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Product OPENEYE NAME: [(2S,3S)-3-acetoxy-5,6-bis(4-chlorophenyl)-2,3-dihydropyrazin-2-yl] acetate
CAS Name: acetic acid [(2S,3S)-3-acetyloxy-5,6-bis(4-chlorophenyl)-2,3-dihydropyrazin-2-yl] ester
IUPAC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(4-chlorophenyl)-2,3-dihydropyrazin-2-yl] acetate
SYSTEMATIC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(4-chlorophenyl)-2,3-dihydropyrazin-2-yl] ethanoate
MOLECULAR FORMULA: C20H16Cl2N2O4
MOLECULAR WEIGHT: 419.25804
SMILES: CC(=O)O[C@H]1[C@@H](N=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)OC(=O)C
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Product OPENEYE NAME: [(2S,3S)-3-acetoxy-5,6-bis(4-bromophenyl)-2,3-dihydropyrazin-2-yl] acetate
CAS Name: acetic acid [(2S,3S)-3-acetyloxy-5,6-bis(4-bromophenyl)-2,3-dihydropyrazin-2-yl] ester
IUPAC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(4-bromophenyl)-2,3-dihydropyrazin-2-yl] acetate
SYSTEMATIC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(4-bromophenyl)-2,3-dihydropyrazin-2-yl] ethanoate
MOLECULAR FORMULA: C20H16Br2N2O4
MOLECULAR WEIGHT: 508.16004
SMILES: CC(=O)O[C@H]1[C@@H](N=C(C(=N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)OC(=O)C
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Product OPENEYE NAME: [(2S,3S)-3-acetoxy-5,6-bis(p-tolyl)-2,3-dihydropyrazin-2-yl] acetate
CAS Name: acetic acid [(2S,3S)-3-acetyloxy-5,6-bis(4-methylphenyl)-2,3-dihydropyrazin-2-yl] ester
IUPAC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(4-methylphenyl)-2,3-dihydropyrazin-2-yl] acetate
SYSTEMATIC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(4-methylphenyl)-2,3-dihydropyrazin-2-yl] ethanoate
MOLECULAR FORMULA: C22H22N2O4
MOLECULAR WEIGHT: 378.42108
SMILES: CC1=CC=C(C=C1)C2=N[C@H]([C@@H](N=C2C3=CC=C(C=C3)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2S,3S)-3-acetoxy-5,6-bis(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl] acetate
CAS Name: acetic acid [(2S,3S)-3-acetyloxy-5,6-bis(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl] ester
IUPAC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl] acetate
SYSTEMATIC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl] ethanoate
MOLECULAR FORMULA: C22H22N2O6
MOLECULAR WEIGHT: 410.41988
SMILES: CC(=O)O[C@H]1[C@@H](N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)OC(=O)C
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Product OPENEYE NAME: [(2S,3S)-3-acetoxy-5,6-bis(2-chlorophenyl)-2,3-dihydropyrazin-2-yl] acetate
CAS Name: acetic acid [(2S,3S)-3-acetyloxy-5,6-bis(2-chlorophenyl)-2,3-dihydropyrazin-2-yl] ester
IUPAC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(2-chlorophenyl)-2,3-dihydropyrazin-2-yl] acetate
SYSTEMATIC NAME: [(2S,3S)-3-acetyloxy-5,6-bis(2-chlorophenyl)-2,3-dihydropyrazin-2-yl] ethanoate
MOLECULAR FORMULA: C20H16Cl2N2O4
MOLECULAR WEIGHT: 419.25804
SMILES: CC(=O)O[C@H]1[C@@H](N=C(C(=N1)C2=CC=CC=C2Cl)C3=CC=CC=C3Cl)OC(=O)C
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Product OPENEYE NAME: 6-bromo-5-(bromomethyl)-9,9-dimethyl-8H-benzo[7]annulen-7-one
CAS Name: 6-bromo-5-(bromomethyl)-9,9-dimethyl-8H-benzo[7]annulen-7-one
IUPAC NAME: 6-bromo-5-(bromomethyl)-9,9-dimethyl-8H-benzo[7]annulen-7-one
SYSTEMATIC NAME: 6-bromanyl-5-(bromomethyl)-9,9-dimethyl-8H-benzo[7]annulen-7-one
MOLECULAR FORMULA: C14H14Br2O
MOLECULAR WEIGHT: 358.06836
SMILES: CC1(CC(=O)C(=C(C2=CC=CC=C21)CBr)Br)C
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MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: CC1C2=CC=CC=C2C(CC3=C1C=NN3)(C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C16H20N2
MOLECULAR WEIGHT: 240.3434
SMILES: CC1C2=CC=CC=C2C(CC3=NN(C=C13)C)(C)C
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MOLECULAR FORMULA: C16H20N2
MOLECULAR WEIGHT: 240.3434
SMILES: CC1C2=CC=CC=C2C(CC3=C1C=NN3C)(C)C
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MOLECULAR FORMULA: C21H22N2
MOLECULAR WEIGHT: 302.41278
SMILES: CC1C2=CC=CC=C2C(CC3=NN(C=C13)C4=CC=CC=C4)(C)C
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MOLECULAR FORMULA: C21H22N2
MOLECULAR WEIGHT: 302.41278
SMILES: CC1C2=CC=CC=C2C(CC3=C1C=NN3C4=CC=CC=C4)(C)C
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MOLECULAR FORMULA: C15H17NO
MOLECULAR WEIGHT: 227.30158
SMILES: CC1C2=CC=CC=C2C(CC3=NOC=C13)(C)C
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