Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-bromo-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CAS Name: 2-bromo-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
IUPAC NAME: 2-bromo-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 2-bromanyl-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C19H19BrN2O3S
MOLECULAR WEIGHT: 435.33476
SMILES: CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3Br)S2)CCOC
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Product OPENEYE NAME: N4-(3-bromophenyl)-6-morpholino-N2-[[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1,3,5-triazine-2,4-diamine
CAS Name: N4-(3-bromophenyl)-6-(4-morpholinyl)-N2-[[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-1,3,5-triazine-2,4-diamine
IUPAC NAME: 4-N-(3-bromophenyl)-6-morpholin-4-yl-2-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N4-(3-bromophenyl)-6-morpholin-4-yl-N2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C24H21BrN8O4
MOLECULAR WEIGHT: 565.37874
SMILES: C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC(=CC=C5)Br
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Product OPENEYE NAME: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxamide
CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarboxamide
IUPAC NAME: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxamide
MOLECULAR FORMULA: C24H28ClN5O2
MOLECULAR WEIGHT: 453.96442
SMILES: CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5)C)Cl
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Product OPENEYE NAME: (1-ethyl-4-nitro-pyrazol-3-yl)-[3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
CAS Name: (1-ethyl-4-nitro-3-pyrazolyl)-[3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
IUPAC NAME: (1-ethyl-4-nitropyrazol-3-yl)-[3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
SYSTEMATIC NAME: (1-ethyl-4-nitro-pyrazol-3-yl)-[3-(3-nitrophenyl)-7-[(3-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
MOLECULAR FORMULA: C26H23N7O7
MOLECULAR WEIGHT: 545.50352
SMILES: CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=N2)C5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-nitropyrazol-1-yl)benzamide
CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(4-nitro-1-pyrazolyl)benzamide
IUPAC NAME: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-nitropyrazol-1-yl)benzamide
SYSTEMATIC NAME: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-nitropyrazol-1-yl)benzamide
MOLECULAR FORMULA: C16H15N7O5
MOLECULAR WEIGHT: 385.3342
SMILES: CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NN3C=C(C=N3)[N+](=O)[O-])C)[N+](=O)[O-]
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Product OPENEYE NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-propyl-naphthalene-2-carboxamide
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-propyl-2-naphthalenecarboxamide
IUPAC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propylnaphthalene-2-carboxamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C33H29FN2O4
MOLECULAR WEIGHT: 536.592763
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC5=CC=CC=C5C=C4
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Product OPENEYE NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-propyl-3-(trifluoromethyl)benzamide
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
IUPAC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-3-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C30H26F4N2O4
MOLECULAR WEIGHT: 554.532053
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 3-bromo-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-propyl-benzamide
CAS Name: 3-bromo-N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
IUPAC NAME: 3-bromo-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
SYSTEMATIC NAME: 3-bromanyl-N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide
MOLECULAR FORMULA: C29H26BrFN2O4
MOLECULAR WEIGHT: 565.430143
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC(=CC=C4)Br
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Product OPENEYE NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-propyl-3,5-bis(trifluoromethyl)benzamide
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-propyl-3,5-bis(trifluoromethyl)benzamide
IUPAC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propyl-3,5-bis(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-3,5-bis(trifluoromethyl)benzamide
MOLECULAR FORMULA: C31H25F7N2O4
MOLECULAR WEIGHT: 622.530022
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 4-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-3-nitro-N-propyl-benzamide
CAS Name: 4-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-3-nitro-N-propylbenzamide
IUPAC NAME: 4-chloro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-3-nitro-N-propylbenzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-nitro-N-propyl-benzamide
MOLECULAR FORMULA: C29H25ClFN3O6
MOLECULAR WEIGHT: 565.976703
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 4-bromo-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-propyl-benzamide
CAS Name: 4-bromo-N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
IUPAC NAME: 4-bromo-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
SYSTEMATIC NAME: 4-bromanyl-N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide
MOLECULAR FORMULA: C29H26BrFN2O4
MOLECULAR WEIGHT: 565.430143
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C30H27FN2O6
MOLECULAR WEIGHT: 530.543583
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-N-propyl-benzamide
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-propylbenzamide
IUPAC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-propylbenzamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-N-propyl-benzamide
MOLECULAR FORMULA: C30H28FN3O6
MOLECULAR WEIGHT: 545.558223
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]
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Product OPENEYE NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-propyl-cyclobutanecarboxamide
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
IUPAC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-cyclobutanecarboxamide
MOLECULAR FORMULA: C27H29FN2O4
MOLECULAR WEIGHT: 464.528563
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3=CC=CC=C3C2=O)C(=O)C4CCC4
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Product OPENEYE NAME: 4-butyl-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-propyl-benzamide
CAS Name: 4-butyl-N-[2-[(4-fluorophenyl)methyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
IUPAC NAME: 4-butyl-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
SYSTEMATIC NAME: 4-butyl-N-[2-[(4-fluorophenyl)methyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide
MOLECULAR FORMULA: C33H35FN2O4
MOLECULAR WEIGHT: 542.640403
SMILES: CCCCC1=CC=C(C=C1)C(=O)N(CCC)CC(=O)N(CC2=CC=C(C=C2)F)CC3=COC4=CC=CC=C4C3=O
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Product OPENEYE NAME: 1-(2,6-dimethylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol
CAS Name: 1-(2,6-dimethylphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol
IUPAC NAME: 1-(2,6-dimethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-(2,6-dimethylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol
MOLECULAR FORMULA: C16H26NO2+
MOLECULAR WEIGHT: 264.38314
SMILES: CC1=C(C(=CC=C1)C)OCC(C[NH+]2CCCCC2)O
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Product OPENEYE NAME: 1-(3,5-dimethylphenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol
CAS Name: 1-(3,5-dimethylphenoxy)-3-(4-morpholin-4-iumyl)-2-propanol
IUPAC NAME: 1-(3,5-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SYSTEMATIC NAME: 1-(3,5-dimethylphenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol
MOLECULAR FORMULA: C15H24NO3+
MOLECULAR WEIGHT: 266.35596
SMILES: CC1=CC(=CC(=C1)OCC(C[NH+]2CCOCC2)O)C
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Product OPENEYE NAME: 2-(1,3-dioxoisoindolin-2-yl)acetate
CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetate
IUPAC NAME: 2-(1,3-dioxoisoindol-2-yl)acetate
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate
MOLECULAR FORMULA: C10H6NO4-
MOLECULAR WEIGHT: 204.15894
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)[O-]
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Product OPENEYE NAME: ethyl 4-(3,4-dichlorophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate
CAS Name: 4-(3,4-dichlorophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(3,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
SYSTEMATIC NAME: ethyl 4-(3,4-dichlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate
MOLECULAR FORMULA: C14H14Cl2N2O3
MOLECULAR WEIGHT: 329.17856
SMILES: CCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C12H12NO4-
MOLECULAR WEIGHT: 234.22798
SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)[O-]
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CAS Name:
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MOLECULAR FORMULA: C11H10NO4-
MOLECULAR WEIGHT: 220.2014
SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)[O-]
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Product OPENEYE NAME: 1-[but-3-enyl-[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-N-(4-fluorophenyl)cyclopentanecarboxamide
CAS Name: 1-[but-3-enyl-[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-N-(4-fluorophenyl)-1-cyclopentanecarboxamide
IUPAC NAME: 1-[but-3-enyl-[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(4-fluorophenyl)cyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl-but-3-enyl-amino]-N-(4-fluorophenyl)cyclopentane-1-carboxamide
MOLECULAR FORMULA: C26H26FN3O4
MOLECULAR WEIGHT: 463.500743
SMILES: C=CCCN(C(=O)CN1C(=O)C2=CC=CC=C2C1=O)C3(CCCC3)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4-benzyloxyphenyl)-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]methanone
CAS Name: [2-[(4-chlorophenoxy)methyl]-1-benzimidazolyl]-(4-phenylmethoxyphenyl)methanone
IUPAC NAME: [2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-(4-phenylmethoxyphenyl)methanone
SYSTEMATIC NAME: [2-[(4-chloranylphenoxy)methyl]benzimidazol-1-yl]-(4-phenylmethoxyphenyl)methanone
MOLECULAR FORMULA: C28H21ClN2O3
MOLECULAR WEIGHT: 468.93094
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4N=C3COC5=CC=C(C=C5)Cl
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