Product OPENEYE NAME: (Z)-4-(benzimidazol-1-yl)pent-3-en-2-one
CAS Name: (Z)-4-(1-benzimidazolyl)-3-penten-2-one
IUPAC NAME: (Z)-4-(benzimidazol-1-yl)pent-3-en-2-one
SYSTEMATIC NAME: (Z)-4-(benzimidazol-1-yl)pent-3-en-2-one
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: C/C(=C/C(=O)C)/N1C=NC2=CC=CC=C21
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Product OPENEYE NAME: (Z)-4-pyrazol-1-ylpent-3-en-2-one
CAS Name: (Z)-4-(1-pyrazolyl)-3-penten-2-one
IUPAC NAME: (Z)-4-pyrazol-1-ylpent-3-en-2-one
SYSTEMATIC NAME: (Z)-4-pyrazol-1-ylpent-3-en-2-one
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: C/C(=C/C(=O)C)/N1C=CC=N1
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Product OPENEYE NAME: (Z)-4-(3,5-dimethylpyrazol-1-yl)pent-3-en-2-one
CAS Name: (Z)-4-(3,5-dimethyl-1-pyrazolyl)-3-penten-2-one
IUPAC NAME: (Z)-4-(3,5-dimethylpyrazol-1-yl)pent-3-en-2-one
SYSTEMATIC NAME: (Z)-4-(3,5-dimethylpyrazol-1-yl)pent-3-en-2-one
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC1=CC(=NN1/C(=C\C(=O)C)/C)C
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Product OPENEYE NAME: (Z)-4-(4-methylimidazol-1-yl)pent-3-en-2-one
CAS Name: (Z)-4-(4-methyl-1-imidazolyl)-3-penten-2-one
IUPAC NAME: (Z)-4-(4-methylimidazol-1-yl)pent-3-en-2-one
SYSTEMATIC NAME: (Z)-4-(4-methylimidazol-1-yl)pent-3-en-2-one
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CC1=CN(C=N1)/C(=C\C(=O)C)/C
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Product OPENEYE NAME: (Z)-3-(3-methylbenzimidazol-3-ium-1-yl)-1-phenyl-but-2-en-1-one
CAS Name: (Z)-3-(3-methyl-1-benzimidazol-3-iumyl)-1-phenyl-2-buten-1-one
IUPAC NAME: (Z)-3-(3-methylbenzimidazol-3-ium-1-yl)-1-phenylbut-2-en-1-one
SYSTEMATIC NAME: (Z)-3-(3-methylbenzimidazol-3-ium-1-yl)-1-phenyl-but-2-en-1-one
MOLECULAR FORMULA: C18H17N2O+
MOLECULAR WEIGHT: 277.34038
SMILES: C/C(=C/C(=O)C1=CC=CC=C1)/N2C=[N+](C3=CC=CC=C32)C
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Product OPENEYE NAME: (Z)-3-(3-methylimidazol-3-ium-1-yl)-1-phenyl-but-2-en-1-one
CAS Name: (Z)-3-(3-methyl-1-imidazol-3-iumyl)-1-phenyl-2-buten-1-one
IUPAC NAME: (Z)-3-(3-methylimidazol-3-ium-1-yl)-1-phenylbut-2-en-1-one
SYSTEMATIC NAME: (Z)-3-(3-methylimidazol-3-ium-1-yl)-1-phenyl-but-2-en-1-one
MOLECULAR FORMULA: C14H15N2O+
MOLECULAR WEIGHT: 227.2817
SMILES: C/C(=C/C(=O)C1=CC=CC=C1)/N2C=C[N+](=C2)C
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Product OPENEYE NAME: (Z)-4-(3-ethylimidazol-3-ium-1-yl)pent-3-en-2-one
CAS Name: (Z)-4-(3-ethyl-1-imidazol-3-iumyl)-3-penten-2-one
IUPAC NAME: (Z)-4-(3-ethylimidazol-3-ium-1-yl)pent-3-en-2-one
SYSTEMATIC NAME: (Z)-4-(3-ethylimidazol-3-ium-1-yl)pent-3-en-2-one
MOLECULAR FORMULA: C10H15N2O+
MOLECULAR WEIGHT: 179.2389
SMILES: CC[N+]1=CN(C=C1)/C(=C\C(=O)C)/C
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Product OPENEYE NAME: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)prop-2-enoate
CAS Name: (Z)-3-(3-methyl-1-imidazol-3-iumyl)-2-propenoic acid methyl ester
IUPAC NAME: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)prop-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)prop-2-enoate
MOLECULAR FORMULA: C8H11N2O2+
MOLECULAR WEIGHT: 167.18514
SMILES: C[N+]1=CN(C=C1)/C=C\C(=O)OC
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Product OPENEYE NAME: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)but-2-enoate
CAS Name: (Z)-3-(3-methyl-1-imidazol-3-iumyl)-2-butenoic acid methyl ester
IUPAC NAME: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)but-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)but-2-enoate
MOLECULAR FORMULA: C9H13N2O2+
MOLECULAR WEIGHT: 181.21172
SMILES: C/C(=C/C(=O)OC)/N1C=C[N+](=C1)C
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Product OPENEYE NAME: 4-acetyl-5-hydroxy-benzofuran-2-carbonitrile
CAS Name: 4-acetyl-5-hydroxy-2-benzofurancarbonitrile
IUPAC NAME: 4-acetyl-5-hydroxy-1-benzofuran-2-carbonitrile
SYSTEMATIC NAME: 4-ethanoyl-5-oxidanyl-1-benzofuran-2-carbonitrile
MOLECULAR FORMULA: C11H7NO3
MOLECULAR WEIGHT: 201.17818
SMILES: CC(=O)C1=C(C=CC2=C1C=C(O2)C#N)O
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Product OPENEYE NAME: 1,10-dideuterio-11H-benzo[b][1]benzazepine
CAS Name: 1,10-dideuterio-11H-benzo[b][1]benzazepine
IUPAC NAME: 1,10-dideuterio-11H-benzo[b][1]benzazepine
SYSTEMATIC NAME: 1,10-dideuterio-11H-benzo[b][1]benzazepine
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 195.256164
SMILES: [2H]C1=C2C(=CC=C1)C=CC3=CC=CC(=C3N2)[2H]
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Product OPENEYE NAME: 1,10-dideuterio-6,11-dihydro-5H-benzo[b][1]benzazepine
CAS Name: 1,10-dideuterio-6,11-dihydro-5H-benzo[b][1]benzazepine
IUPAC NAME: 1,10-dideuterio-6,11-dihydro-5H-benzo[b][1]benzazepine
SYSTEMATIC NAME: 1,10-dideuterio-6,11-dihydro-5H-benzo[b][1]benzazepine
MOLECULAR FORMULA: C14H13N
MOLECULAR WEIGHT: 197.272044
SMILES: [2H]C1=C2C(=CC=C1)CCC3=CC=CC(=C3N2)[2H]
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Product OPENEYE NAME: methyl (Z)-3-(2-methylimidazol-1-yl)prop-2-enoate
CAS Name: (Z)-3-(2-methyl-1-imidazolyl)-2-propenoic acid methyl ester
IUPAC NAME: methyl (Z)-3-(2-methylimidazol-1-yl)prop-2-enoate
SYSTEMATIC NAME: methyl (Z)-3-(2-methylimidazol-1-yl)prop-2-enoate
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CC1=NC=CN1/C=C\C(=O)OC
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Product OPENEYE NAME: 3-butyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2-thione
CAS Name: 3-butyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2-thione
IUPAC NAME: 3-butyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 3-butyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C12H12Cl2N2OS
MOLECULAR WEIGHT: 303.20748
SMILES: CCCCN1C(=S)OC(=N1)C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: (6Z)-6-[5-methyl-2-[4-[[(6E)-5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]butylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[5-methyl-2-[4-[[(6E)-5-methyl-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-2-yl]amino]butylamino]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[5-methyl-2-[4-[[(6E)-5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]butylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[5-methyl-2-[4-[[(6E)-5-methyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]butylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C26H28N6O2
MOLECULAR WEIGHT: 456.53952
SMILES: CC\1=CN=C(N/C1=C/2\C=CC=CC2=O)NCCCCNC3=NC=C(/C(=C/4\C=CC=CC4=O)/N3)C
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Product OPENEYE NAME: (6Z)-6-[5-methyl-2-[8-[[(6E)-5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]octylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[5-methyl-2-[8-[[(6E)-5-methyl-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-2-yl]amino]octylamino]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[5-methyl-2-[8-[[(6E)-5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]octylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[5-methyl-2-[8-[[(6E)-5-methyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]amino]octylamino]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C30H36N6O2
MOLECULAR WEIGHT: 512.64584
SMILES: CC\1=CN=C(N/C1=C/2\C=CC=CC2=O)NCCCCCCCCNC3=NC=C(/C(=C/4\C=CC=CC4=O)/N3)C
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