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MOLECULAR FORMULA: C27H31NO6S
MOLECULAR WEIGHT: 497.60314
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4C5CC6=C7C4(CCN5C)C(C2CO3)OC7=C(C=C6)OC
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MOLECULAR FORMULA: C29H35NO3
MOLECULAR WEIGHT: 445.5931
SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C6COC6(C4)CCCCC7=CC=CC=C7
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MOLECULAR FORMULA: C29H31NO3
MOLECULAR WEIGHT: 441.56134
SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C6COC6(C4)/C=C/C=C/C7=CC=CC=C7
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MOLECULAR FORMULA: C20H25NO4
MOLECULAR WEIGHT: 343.4168
SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C6COC6(C4)CO
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MOLECULAR FORMULA: C22H27NO5
MOLECULAR WEIGHT: 385.45348
SMILES: CC(=O)OCC12CC3C4CC5=C6C3(CCN4C)C(C1CO2)OC6=C(C=C5)OC
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MOLECULAR FORMULA: C26H29NO4
MOLECULAR WEIGHT: 419.51276
SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C6COC6(C4)C(C7=CC=CC=C7)O
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Product OPENEYE NAME: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N'-hydroxy-acetamidine
CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N'-hydroxyethanimidamide
IUPAC NAME: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N'-hydroxyethanimidamide
SYSTEMATIC NAME: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N'-oxidanyl-ethanimidamide
MOLECULAR FORMULA: C9H8ClN3OS2
MOLECULAR WEIGHT: 273.76232
SMILES: C1=CC2=C(C=C1Cl)N=C(S2)SC/C(=N\O)/N
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Product OPENEYE NAME: 2-(5-chlorothiazolo[5,4-b]pyridin-2-yl)sulfanylacetonitrile
CAS Name: 2-[(5-chloro-2-thiazolo[5,4-b]pyridinyl)thio]acetonitrile
IUPAC NAME: 2-[(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)sulfanyl]acetonitrile
SYSTEMATIC NAME: 2-[(5-chloranyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)sulfanyl]ethanenitrile
MOLECULAR FORMULA: C8H4ClN3S2
MOLECULAR WEIGHT: 241.72046
SMILES: C1=CC(=NC2=C1N=C(S2)SCC#N)Cl
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Product OPENEYE NAME: 2-(diallylamino)-N-[3-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide; fumaric acid
CAS Name: 2-[bis(prop-2-enyl)amino]-N-[3-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide; (E)-2-butenedioic acid
IUPAC NAME: 2-[bis(prop-2-enyl)amino]-N-[3-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 2-[bis(prop-2-enyl)amino]-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C30H33N3O6
MOLECULAR WEIGHT: 531.59952
SMILES: C=CCN(CC=C)CC(=O)NCCCN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 2-(diallylamino)-N-[3-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide
CAS Name: 2-[bis(prop-2-enyl)amino]-N-[3-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide
IUPAC NAME: 2-[bis(prop-2-enyl)amino]-N-[3-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide
SYSTEMATIC NAME: 2-[bis(prop-2-enyl)amino]-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide
MOLECULAR FORMULA: C26H29N3O2
MOLECULAR WEIGHT: 415.52736
SMILES: C=CCN(CC=C)CC(=O)NCCCN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(diethylamino)-2-ethoxy-N-[1-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide
CAS Name: 2-(diethylamino)-2-ethoxy-N-[1-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide
IUPAC NAME: 2-(diethylamino)-2-ethoxy-N-[1-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide
SYSTEMATIC NAME: 2-(diethylamino)-2-ethoxy-N-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide
MOLECULAR FORMULA: C26H33N3O3
MOLECULAR WEIGHT: 435.55852
SMILES: CCC(NC(=O)C(N(CC)CC)OCC)N1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-(benzylamino)propyl]-4-phenyl-isoquinolin-1-one; fumaric acid
CAS Name: (E)-2-butenedioic acid; 4-phenyl-2-[2-[(phenylmethyl)amino]propyl]-1-isoquinolinone
IUPAC NAME: 2-[2-(benzylamino)propyl]-4-phenylisoquinolin-1-one; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-phenyl-2-[2-[(phenylmethyl)amino]propyl]isoquinolin-1-one
MOLECULAR FORMULA: C29H28N2O5
MOLECULAR WEIGHT: 484.54302
SMILES: CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)NCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 1-methyl-3-[1-methyl-2-(1-oxo-4-phenyl-2-isoquinolyl)ethyl]urea hydrate
CAS Name: 1-methyl-3-[1-(1-oxo-4-phenyl-2-isoquinolinyl)propan-2-yl]urea hydrate
IUPAC NAME: 1-methyl-3-[1-(1-oxo-4-phenylisoquinolin-2-yl)propan-2-yl]urea hydrate
SYSTEMATIC NAME: 1-methyl-3-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propan-2-yl]urea hydrate
MOLECULAR FORMULA: C20H23N3O3
MOLECULAR WEIGHT: 353.41492
SMILES: CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)NC(=O)NC.O
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Product OPENEYE NAME: 2-(oxiran-2-ylmethyl)isoquinolin-1-one
CAS Name: 2-(2-oxiranylmethyl)-1-isoquinolinone
IUPAC NAME: 2-(oxiran-2-ylmethyl)isoquinolin-1-one
SYSTEMATIC NAME: 2-(oxiran-2-ylmethyl)isoquinolin-1-one
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: C1C(O1)CN2C=CC3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2-(4-methylpiperazin-1-yl)-N-[3-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide
CAS Name: 2-(4-methyl-1-piperazinyl)-N-[3-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide
IUPAC NAME: 2-(4-methylpiperazin-1-yl)-N-[3-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide
MOLECULAR FORMULA: C25H30N4O2
MOLECULAR WEIGHT: 418.5313
SMILES: CN1CCN(CC1)CC(=O)NCCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-amino-N-[1-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide; fumaric acid
CAS Name: 2-amino-N-[1-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide; (E)-2-butenedioic acid
IUPAC NAME: 2-amino-N-[1-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 2-azanyl-N-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C24H25N3O6
MOLECULAR WEIGHT: 451.4718
SMILES: CCC(NC(=O)CN)N1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 2-amino-N-[1-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide
CAS Name: 2-amino-N-[1-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide
IUPAC NAME: 2-amino-N-[1-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide
SYSTEMATIC NAME: 2-azanyl-N-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide
MOLECULAR FORMULA: C20H21N3O2
MOLECULAR WEIGHT: 335.39964
SMILES: CCC(NC(=O)CN)N1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-(allylamino)propyl]-4-phenyl-isoquinolin-1-one; fumaric acid
CAS Name: (E)-2-butenedioic acid; 4-phenyl-2-[2-(prop-2-enylamino)propyl]-1-isoquinolinone
IUPAC NAME: (E)-but-2-enedioic acid; 4-phenyl-2-[2-(prop-2-enylamino)propyl]isoquinolin-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-phenyl-2-[2-(prop-2-enylamino)propyl]isoquinolin-1-one
MOLECULAR FORMULA: C25H26N2O5
MOLECULAR WEIGHT: 434.48434
SMILES: CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)NCC=C.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: fumaric acid; 2-morpholino-N-[3-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide
CAS Name: (E)-2-butenedioic acid; 2-(4-morpholinyl)-N-[3-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide
IUPAC NAME: (E)-but-2-enedioic acid; 2-morpholin-4-yl-N-[3-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-morpholin-4-yl-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide
MOLECULAR FORMULA: C28H31N3O7
MOLECULAR WEIGHT: 521.56164
SMILES: C1COCCN1CC(=O)NCCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 2-morpholino-N-[3-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide
CAS Name: 2-(4-morpholinyl)-N-[3-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide
IUPAC NAME: 2-morpholin-4-yl-N-[3-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide
MOLECULAR FORMULA: C24H27N3O3
MOLECULAR WEIGHT: 405.48948
SMILES: C1COCCN1CC(=O)NCCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(4-methylpiperazin-1-yl)-N-[1-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide
CAS Name: 2-(4-methyl-1-piperazinyl)-N-[1-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide
IUPAC NAME: 2-(4-methylpiperazin-1-yl)-N-[1-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)-N-[1-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide
MOLECULAR FORMULA: C25H30N4O2
MOLECULAR WEIGHT: 418.5313
SMILES: CCC(NC(=O)CN1CCN(CC1)C)N2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[3-(diisobutylamino)-2-hydroxy-propyl]-4-phenyl-isoquinolin-1-one; fumaric acid
CAS Name: 2-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-4-phenyl-1-isoquinolinone; (E)-2-butenedioic acid
IUPAC NAME: 2-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-4-phenylisoquinolin-1-one; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 2-[3-[bis(2-methylpropyl)amino]-2-oxidanyl-propyl]-4-phenyl-isoquinolin-1-one; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C30H38N2O6
MOLECULAR WEIGHT: 522.63252
SMILES: CC(C)CN(CC(C)C)CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)O.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: 2-[bis(1-hydroxyethyl)amino]-N-[3-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide hydrochloride
CAS Name: 2-[bis(1-hydroxyethyl)amino]-N-[3-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide hydrochloride
IUPAC NAME: 2-[bis(1-hydroxyethyl)amino]-N-[3-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide hydrochloride
SYSTEMATIC NAME: 2-[bis(1-hydroxyethyl)amino]-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide hydrochloride
MOLECULAR FORMULA: C24H30ClN3O4
MOLECULAR WEIGHT: 459.9657
SMILES: CC(N(CC(=O)NCCCN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(C)O)O.Cl
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Product OPENEYE NAME: 2-[bis(1-hydroxyethyl)amino]-N-[3-(1-oxo-4-phenyl-2-isoquinolyl)propyl]acetamide
CAS Name: 2-[bis(1-hydroxyethyl)amino]-N-[3-(1-oxo-4-phenyl-2-isoquinolinyl)propyl]acetamide
IUPAC NAME: 2-[bis(1-hydroxyethyl)amino]-N-[3-(1-oxo-4-phenylisoquinolin-2-yl)propyl]acetamide
SYSTEMATIC NAME: 2-[bis(1-hydroxyethyl)amino]-N-[3-(1-oxidanylidene-4-phenyl-isoquinolin-2-yl)propyl]ethanamide
MOLECULAR FORMULA: C24H29N3O4
MOLECULAR WEIGHT: 423.50476
SMILES: CC(N(CC(=O)NCCCN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(C)O)O
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