Product OPENEYE NAME: 7-[[(2E)-2-[(E)-4-tert-butoxy-4-oxo-but-2-enoxy]imino-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-[(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoxy]imino-1-oxoethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoxy]iminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-but-2-enoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C27H29N6O8S2+
MOLECULAR WEIGHT: 629.68456
SMILES: CC(C)(C)OC(=O)/C=C/CO/N=C(\C1=CSC(=N1)NC=O)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O
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Product OPENEYE NAME: 2-imino-3-phenyl-1,3,5-thiadiazinan-4-one
CAS Name: 2-imino-3-phenyl-1,3,5-thiadiazinan-4-one
IUPAC NAME: 2-imino-3-phenyl-1,3,5-thiadiazinan-4-one
SYSTEMATIC NAME: 2-azanylidene-3-phenyl-1,3,5-thiadiazinan-4-one
MOLECULAR FORMULA: C9H9N3OS
MOLECULAR WEIGHT: 207.25226
SMILES: C1NC(=O)N(C(=N)S1)C2=CC=CC=C2
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Product OPENEYE NAME: 5-phenylquinoxaline
CAS Name: 5-phenylquinoxaline
IUPAC NAME: 5-phenylquinoxaline
SYSTEMATIC NAME: 5-phenylquinoxaline
MOLECULAR FORMULA: C14H10N2
MOLECULAR WEIGHT: 206.2426
SMILES: C1=CC=C(C=C1)C2=C3C(=CC=C2)N=CC=N3
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Product OPENEYE NAME: 1-[4-[6-fluoro-3-(4-fluorophenyl)indan-1-yl]piperazin-1-yl]propane-1,3-diol
CAS Name: 1-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1-piperazinyl]propane-1,3-diol
IUPAC NAME: 1-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propane-1,3-diol
SYSTEMATIC NAME: 1-[4-[6-fluoranyl-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propane-1,3-diol
MOLECULAR FORMULA: C22H26F2N2O2
MOLECULAR WEIGHT: 388.450846
SMILES: C1CN(CCN1C2CC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F)C(CCO)O
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Product OPENEYE NAME: 2-[6-fluoro-3-(4-fluorophenyl)indan-1-yl]-1-isopropyl-piperazine
CAS Name: 2-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-ylpiperazine
IUPAC NAME: 2-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-ylpiperazine
SYSTEMATIC NAME: 2-[6-fluoranyl-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-piperazine
MOLECULAR FORMULA: C22H26F2N2
MOLECULAR WEIGHT: 356.452046
SMILES: CC(C)N1CCNCC1C2CC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 3-[4-[6-chloro-3-(4-fluorophenyl)indan-1-yl]piperazin-1-yl]propan-1-ol
CAS Name: 3-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1-piperazinyl]-1-propanol
IUPAC NAME: 3-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol
SYSTEMATIC NAME: 3-[4-[6-chloranyl-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propan-1-ol
MOLECULAR FORMULA: C22H26ClFN2O
MOLECULAR WEIGHT: 388.906043
SMILES: C1CN(CCN1CCCO)C2CC(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 5-fluoro-3-(4-methylpiperazin-1-yl)indan-1-one
CAS Name: 5-fluoro-3-(4-methyl-1-piperazinyl)-2,3-dihydroinden-1-one
IUPAC NAME: 5-fluoro-3-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5-fluoranyl-3-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C14H17FN2O
MOLECULAR WEIGHT: 248.295983
SMILES: CN1CCN(CC1)C2CC(=O)C3=C2C=C(C=C3)F
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Product OPENEYE NAME: 1-[6-fluoro-3-(4-fluorophenyl)indan-1-yl]-4-isopropyl-piperazine
CAS Name: 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-propan-2-ylpiperazine
IUPAC NAME: 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-propan-2-ylpiperazine
SYSTEMATIC NAME: 1-[6-fluoranyl-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-propan-2-yl-piperazine
MOLECULAR FORMULA: C22H26F2N2
MOLECULAR WEIGHT: 356.452046
SMILES: CC(C)N1CCN(CC1)C2CC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 3-(4-fluorophenyl)-3-(p-tolyl)propanenitrile
CAS Name: 3-(4-fluorophenyl)-3-(4-methylphenyl)propanenitrile
IUPAC NAME: 3-(4-fluorophenyl)-3-(4-methylphenyl)propanenitrile
SYSTEMATIC NAME: 3-(4-fluorophenyl)-3-(4-methylphenyl)propanenitrile
MOLECULAR FORMULA: C16H14FN
MOLECULAR WEIGHT: 239.287463
SMILES: CC1=CC=C(C=C1)C(CC#N)C2=CC=C(C=C2)F
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Product OPENEYE NAME: 3-(4-chlorophenyl)-6-fluoro-indan-1-one
CAS Name: 3-(4-chlorophenyl)-6-fluoro-2,3-dihydroinden-1-one
IUPAC NAME: 3-(4-chlorophenyl)-6-fluoro-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)-6-fluoranyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C15H10ClFO
MOLECULAR WEIGHT: 260.690703
SMILES: C1C(C2=C(C1=O)C=C(C=C2)F)C3=CC=C(C=C3)Cl
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