Product OPENEYE NAME: tris[[(2S)-2-(isobutoxycarbonylamino)propanoyl]oxy]boranuide
CAS Name: tris[(2S)-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxopropoxy]boranuide
IUPAC NAME: tris[[(2S)-2-(2-methylpropoxycarbonylamino)propanoyl]oxy]boranuide
SYSTEMATIC NAME: tris[[(2S)-2-(2-methylpropoxycarbonylamino)propanoyl]oxy]boranuide
MOLECULAR FORMULA: C24H43BN3O12-
MOLECULAR WEIGHT: 576.42212
SMILES: [BH-](OC(=O)[C@H](C)NC(=O)OCC(C)C)(OC(=O)[C@H](C)NC(=O)OCC(C)C)OC(=O)[C@H](C)NC(=O)OCC(C)C
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Product OPENEYE NAME: N-methyl-4-phenyl-3-(p-tolylsulfonyl)-1,2,4-thiadiazol-5-imine
CAS Name: N-methyl-3-(4-methylphenyl)sulfonyl-4-phenyl-1,2,4-thiadiazol-5-imine
IUPAC NAME: N-methyl-3-(4-methylphenyl)sulfonyl-4-phenyl-1,2,4-thiadiazol-5-imine
SYSTEMATIC NAME: N-methyl-3-(4-methylphenyl)sulfonyl-4-phenyl-1,2,4-thiadiazol-5-imine
MOLECULAR FORMULA: C16H15N3O2S2
MOLECULAR WEIGHT: 345.4392
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=NSC(=NC)N2C3=CC=CC=C3
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Product OPENEYE NAME: N-methyl-4-phenyl-3-(trichloromethyl)-1,2,4-thiadiazol-5-imine
CAS Name: N-methyl-4-phenyl-3-(trichloromethyl)-1,2,4-thiadiazol-5-imine
IUPAC NAME: N-methyl-4-phenyl-3-(trichloromethyl)-1,2,4-thiadiazol-5-imine
SYSTEMATIC NAME: N-methyl-4-phenyl-3-(trichloromethyl)-1,2,4-thiadiazol-5-imine
MOLECULAR FORMULA: C10H8Cl3N3S
MOLECULAR WEIGHT: 308.61462
SMILES: CN=C1N(C(=NS1)C(Cl)(Cl)Cl)C2=CC=CC=C2
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Product OPENEYE NAME: N-methyl-3-phenoxy-4-phenyl-1,2,4-thiadiazol-5-imine
CAS Name: N-methyl-3-phenoxy-4-phenyl-1,2,4-thiadiazol-5-imine
IUPAC NAME: N-methyl-3-phenoxy-4-phenyl-1,2,4-thiadiazol-5-imine
SYSTEMATIC NAME: N-methyl-3-phenoxy-4-phenyl-1,2,4-thiadiazol-5-imine
MOLECULAR FORMULA: C15H13N3OS
MOLECULAR WEIGHT: 283.34822
SMILES: CN=C1N(C(=NS1)OC2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,2-dihydroisoquinoline
CAS Name: 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,2-dihydroisoquinoline
IUPAC NAME: 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,2-dihydroisoquinoline
SYSTEMATIC NAME: 1-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]-1,2-dihydroisoquinoline
MOLECULAR FORMULA: C17H8F17N
MOLECULAR WEIGHT: 549.224974
SMILES: C1=CC=C2C(NC=CC2=C1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2-dihydroisoquinoline
CAS Name: 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2-dihydroisoquinoline
IUPAC NAME: 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2-dihydroisoquinoline
SYSTEMATIC NAME: 1-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]-1,2-dihydroisoquinoline
MOLECULAR FORMULA: C15H8F13N
MOLECULAR WEIGHT: 449.209962
SMILES: C1=CC=C2C(NC=CC2=C1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2-dihydroisoquinoline
CAS Name: 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2-dihydroisoquinoline
IUPAC NAME: 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2-dihydroisoquinoline
SYSTEMATIC NAME: 1-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butyl]-1,2-dihydroisoquinoline
MOLECULAR FORMULA: C13H8F9N
MOLECULAR WEIGHT: 349.194949
SMILES: C1=CC=C2C(NC=CC2=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1-(1,1,2,2,2-pentafluoroethyl)-1,2-dihydroisoquinoline
CAS Name: 1-(1,1,2,2,2-pentafluoroethyl)-1,2-dihydroisoquinoline
IUPAC NAME: 1-(1,1,2,2,2-pentafluoroethyl)-1,2-dihydroisoquinoline
SYSTEMATIC NAME: 1-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1,2-dihydroisoquinoline
MOLECULAR FORMULA: C11H8F5N
MOLECULAR WEIGHT: 249.179936
SMILES: C1=CC=C2C(NC=CC2=C1)C(C(F)(F)F)(F)F
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Product OPENEYE NAME: 1-methyl-1,2-dihydroisoquinoline
CAS Name: 1-methyl-1,2-dihydroisoquinoline
IUPAC NAME: 1-methyl-1,2-dihydroisoquinoline
SYSTEMATIC NAME: 1-methyl-1,2-dihydroisoquinoline
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1C2=CC=CC=C2C=CN1
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Product OPENEYE NAME: 1-butyl-1,2-dihydroisoquinoline
CAS Name: 1-butyl-1,2-dihydroisoquinoline
IUPAC NAME: 1-butyl-1,2-dihydroisoquinoline
SYSTEMATIC NAME: 1-butyl-1,2-dihydroisoquinoline
MOLECULAR FORMULA: C13H17N
MOLECULAR WEIGHT: 187.28078
SMILES: CCCCC1C2=CC=CC=C2C=CN1
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Product OPENEYE NAME: 1-phenyl-1,2-dihydroisoquinoline
CAS Name: 1-phenyl-1,2-dihydroisoquinoline
IUPAC NAME: 1-phenyl-1,2-dihydroisoquinoline
SYSTEMATIC NAME: 1-phenyl-1,2-dihydroisoquinoline
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3C=CN2
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Product OPENEYE NAME: (1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-propyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
CAS Name: (1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-propyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
IUPAC NAME: (1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-propyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
SYSTEMATIC NAME: (1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-propyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
MOLECULAR FORMULA: C17H25ClNO2+
MOLECULAR WEIGHT: 310.8389
SMILES: CCC[N@+]12CCC3=CC(=C(C=C3[C@H]1[C@@H](C2)CCl)OC)OC
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Product OPENEYE NAME: (1R,3S,9bR)-3-allyl-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
CAS Name: (1R,3S,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-prop-2-enyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
IUPAC NAME: (1R,3S,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-prop-2-enyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
SYSTEMATIC NAME: (1R,3S,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-prop-2-enyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
MOLECULAR FORMULA: C17H23ClNO2+
MOLECULAR WEIGHT: 308.82302
SMILES: COC1=C(C=C2[C@H]3[C@@H](C[N@+]3(CCC2=C1)CC=C)CCl)OC
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Product OPENEYE NAME: (1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-prop-2-ynyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
CAS Name: (1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-prop-2-ynyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
IUPAC NAME: (1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-prop-2-ynyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
SYSTEMATIC NAME: (1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-3-prop-2-ynyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
MOLECULAR FORMULA: C17H21ClNO2+
MOLECULAR WEIGHT: 306.80714
SMILES: COC1=C(C=C2[C@H]3[C@@H](C[N@+]3(CCC2=C1)CC#C)CCl)OC
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Product OPENEYE NAME: (1R,3R,9bR)-3-[(4-bromophenyl)methyl]-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
CAS Name: (1R,3R,9bR)-3-[(4-bromophenyl)methyl]-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
IUPAC NAME: (1R,3R,9bR)-3-[(4-bromophenyl)methyl]-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
SYSTEMATIC NAME: (1R,3R,9bR)-3-[(4-bromophenyl)methyl]-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium
MOLECULAR FORMULA: C21H24BrClNO2+
MOLECULAR WEIGHT: 437.77776
SMILES: COC1=C(C=C2[C@H]3[C@@H](C[N@+]3(CCC2=C1)CC4=CC=C(C=C4)Br)CCl)OC
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Product OPENEYE NAME: ethyl 2-[(1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium-3-yl]acetate
CAS Name: 2-[(1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[(1R,3R,9bR)-1-(chloromethyl)-7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium-3-yl]ethanoate
MOLECULAR FORMULA: C18H25ClNO4+
MOLECULAR WEIGHT: 354.8484
SMILES: CCOC(=O)C[N@+]12CCC3=CC(=C(C=C3[C@H]1[C@@H](C2)CCl)OC)OC
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