Product OPENEYE NAME: zinc; 2-amino-6-fluoro-1-oxo-4-phenyl-4,5-dihydro-2H-1,5-benzodiazepin-1-ium-3-one; 2-methylbutane
CAS Name: zinc; 2-amino-6-fluoro-1-oxo-4-phenyl-4,5-dihydro-2H-1,5-benzodiazepin-1-ium-3-one; 2-methylbutane
IUPAC NAME: zinc; 2-amino-6-fluoro-1-oxo-4-phenyl-4,5-dihydro-2H-1,5-benzodiazepin-1-ium-3-one; 2-methylbutane
SYSTEMATIC NAME: zinc; 2-azanyl-6-fluoranyl-1-oxidanylidene-4-phenyl-4,5-dihydro-2H-1,5-benzodiazepin-1-ium-3-one; 2-methylbutane
MOLECULAR FORMULA: C20H24FN3O2Zn+2
MOLECULAR WEIGHT: 422.830863
SMILES: CC(C)C[CH2-].C1=CC=C(C=C1)C2C(=O)C([N+](=O)C3=C(N2)C(=CC=C3)F)N.[Zn+2]
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Product OPENEYE NAME: 2-amino-6-fluoro-1-oxo-4-phenyl-4,5-dihydro-2H-1,5-benzodiazepin-1-ium-3-one
CAS Name: 2-amino-6-fluoro-1-oxo-4-phenyl-4,5-dihydro-2H-1,5-benzodiazepin-1-ium-3-one
IUPAC NAME: 2-amino-6-fluoro-1-oxo-4-phenyl-4,5-dihydro-2H-1,5-benzodiazepin-1-ium-3-one
SYSTEMATIC NAME: 2-azanyl-6-fluoranyl-1-oxidanylidene-4-phenyl-4,5-dihydro-2H-1,5-benzodiazepin-1-ium-3-one
MOLECULAR FORMULA: C15H13FN3O2+
MOLECULAR WEIGHT: 286.281023
SMILES: C1=CC=C(C=C1)C2C(=O)C([N+](=O)C3=C(N2)C(=CC=C3)F)N
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Product OPENEYE NAME: sodium; 2-methanidyl-3-methyl-butane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: sodium; 2-methanidyl-3-methylbutane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: sodium; 2-methanidyl-3-methylbutane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: sodium; 2-methanidyl-3-methyl-butane; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C21H26N2NaO2+
MOLECULAR WEIGHT: 361.43311
SMILES: CC(C)C(C)[CH2-].C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: sodium; 1-methanidyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: sodium; 1-methanidyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: sodium; 1-methanidyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: sodium; 1-methanidyladamantane; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C26H30N2NaO2+
MOLECULAR WEIGHT: 425.51837
SMILES: [CH2-]C12CC3CC(C1)CC(C3)C2.C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: sodium; 1-ethylcyclohexa-1,3-diene; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: sodium; 1-ethylcyclohexa-1,3-diene; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: sodium; 1-ethylcyclohexa-1,3-diene; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: sodium; 1-ethylcyclohexa-1,3-diene; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C23H24N2NaO2+
MOLECULAR WEIGHT: 383.43863
SMILES: [CH2-]CC1=CC=CCC1.C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: sodium; 1-ethyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: sodium; 1-ethyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: sodium; 1-ethyladamantane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: sodium; 1-ethyladamantane; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C27H32N2NaO2+
MOLECULAR WEIGHT: 439.54495
SMILES: [CH2-]CC12CC3CC(C1)CC(C3)C2.C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: zinc 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: zinc 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: zinc 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: zinc 5-heptyl-5-oxidanidyl-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C22H28N2O2Zn+2
MOLECULAR WEIGHT: 417.87892
SMILES: CCCCCCC[N+]1(CC(=O)C(NC2=CC=CC=C21)C3=CC=CC=C3)[O-].[Zn+2]
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Product OPENEYE NAME: 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: 5-heptyl-5-oxidanidyl-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C22H28N2O2
MOLECULAR WEIGHT: 352.46992
SMILES: CCCCCCC[N+]1(CC(=O)C(NC2=CC=CC=C21)C3=CC=CC=C3)[O-]
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Product OPENEYE NAME: sodium; 3-methylbutan-2-one; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: sodium; 3-methyl-2-butanone; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: sodium; 3-methylbutan-2-one; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: sodium; 3-methylbutan-2-one; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C20H22N2NaO3+
MOLECULAR WEIGHT: 361.39005
SMILES: CC(C)C(=O)[CH2-].C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: sodium; 2,2-dimethylbutane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
CAS Name: sodium; 2,2-dimethylbutane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
IUPAC NAME: sodium; 2,2-dimethylbutane; 5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
SYSTEMATIC NAME: sodium; 2,2-dimethylbutane; 5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one
MOLECULAR FORMULA: C21H26N2NaO2+
MOLECULAR WEIGHT: 361.43311
SMILES: CC(C)(C)C[CH2-].C1C(=O)C(NC2=CC=CC=C2[N+]1=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: 1-[1-(4-amino-3-methyl-phenyl)ethylamino]propane-1-sulfonamide
CAS Name: 1-[1-(4-amino-3-methylphenyl)ethylamino]-1-propanesulfonamide
IUPAC NAME: 1-[1-(4-amino-3-methylphenyl)ethylamino]propane-1-sulfonamide
SYSTEMATIC NAME: 1-[1-(4-azanyl-3-methyl-phenyl)ethylamino]propane-1-sulfonamide
MOLECULAR FORMULA: C12H21N3O2S
MOLECULAR WEIGHT: 271.37904
SMILES: CCC(NC(C)C1=CC(=C(C=C1)N)C)S(=O)(=O)N
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Product OPENEYE NAME: 3-pyrazol-1-yladamantan-1-amine
CAS Name: 3-(1-pyrazolyl)-1-adamantanamine
IUPAC NAME: 3-pyrazol-1-yladamantan-1-amine
SYSTEMATIC NAME: 3-pyrazol-1-yladamantan-1-amine
MOLECULAR FORMULA: C13H19N3
MOLECULAR WEIGHT: 217.31006
SMILES: C1C2CC3(CC1CC(C2)(C3)N4C=CC=N4)N
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Product OPENEYE NAME: (4-sulfinooxyphenyl) sulfite
CAS Name: (4-sulfinooxyphenyl) sulfite
IUPAC NAME: (4-sulfinooxyphenyl) sulfite
SYSTEMATIC NAME: (4-sulfinooxyphenyl) sulfite
MOLECULAR FORMULA: C6H5O6S2-
MOLECULAR WEIGHT: 237.2303
SMILES: C1=CC(=CC=C1OS(=O)O)OS(=O)[O-]
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Product OPENEYE NAME: (4-sulfinooxyphenyl) hydrogen sulfite
CAS Name: sulfurous acid (4-sulfinooxyphenyl) ester
IUPAC NAME: (4-sulfinooxyphenyl) hydrogen sulfite
SYSTEMATIC NAME: (4-sulfinooxyphenyl) hydrogen sulfite
MOLECULAR FORMULA: C6H6O6S2
MOLECULAR WEIGHT: 238.23824
SMILES: C1=CC(=CC=C1OS(=O)O)OS(=O)O
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Product OPENEYE NAME: 3-[1-(2-methoxy-2-oxo-ethyl)-3-(4-nitrophenyl)-4-oxo-azetidin-2-yl]propanoic acid
CAS Name: 3-[1-(2-methoxy-2-oxoethyl)-3-(4-nitrophenyl)-4-oxo-2-azetidinyl]propanoic acid
IUPAC NAME: 3-[1-(2-methoxy-2-oxoethyl)-3-(4-nitrophenyl)-4-oxoazetidin-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[1-(2-methoxy-2-oxidanylidene-ethyl)-3-(4-nitrophenyl)-4-oxidanylidene-azetidin-2-yl]propanoic acid
MOLECULAR FORMULA: C15H16N2O7
MOLECULAR WEIGHT: 336.29674
SMILES: COC(=O)CN1C(C(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)O
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Product OPENEYE NAME: (2-oxo-4-phenyl-oxazolidin-3-yl) 2-[2-(2-furyl)-4-oxo-3-vinyl-azetidin-1-yl]acetate
CAS Name: 2-[3-ethenyl-2-(2-furanyl)-4-oxo-1-azetidinyl]acetic acid (2-oxo-4-phenyl-3-oxazolidinyl) ester
IUPAC NAME: (2-oxo-4-phenyl-1,3-oxazolidin-3-yl) 2-[3-ethenyl-2-(furan-2-yl)-4-oxoazetidin-1-yl]acetate
SYSTEMATIC NAME: (2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl) 2-[3-ethenyl-2-(furan-2-yl)-4-oxidanylidene-azetidin-1-yl]ethanoate
MOLECULAR FORMULA: C20H18N2O6
MOLECULAR WEIGHT: 382.36672
SMILES: C=CC1C(N(C1=O)CC(=O)ON2C(COC2=O)C3=CC=CC=C3)C4=CC=CO4
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Product OPENEYE NAME: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(3-methyl-4-oxo-2-phenyl-chromen-8-yl)methyl]acetamide
CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl]acetamide
IUPAC NAME: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(3-methyl-4-oxo-2-phenylchromen-8-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl]ethanamide
MOLECULAR FORMULA: C30H31N3O4
MOLECULAR WEIGHT: 497.58484
SMILES: CC1=C(OC2=C(C1=O)C=CC=C2CNC(=O)CN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5
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Product OPENEYE NAME: 2,2,2-trifluoro-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methyl-acetamide
CAS Name: 2,2,2-trifluoro-N-[1-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-N-methylacetamide
IUPAC NAME: 2,2,2-trifluoro-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylacetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methyl-ethanamide
MOLECULAR FORMULA: C18H26F3N3O2
MOLECULAR WEIGHT: 373.41315
SMILES: CCCC(N1CCN(CC1)C2=CC=CC=C2OC)N(C)C(=O)C(F)(F)F
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Product OPENEYE NAME: 4-(2-methoxyphenyl)-1-piperazin-1-yl-butan-1-one
CAS Name: 4-(2-methoxyphenyl)-1-(1-piperazinyl)-1-butanone
IUPAC NAME: 4-(2-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
SYSTEMATIC NAME: 4-(2-methoxyphenyl)-1-piperazin-1-yl-butan-1-one
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: COC1=CC=CC=C1CCCC(=O)N2CCNCC2
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