Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C19H18F6N6O2
MOLECULAR WEIGHT: 476.375639
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NNC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-butyl-3-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]urea
CAS Name: 1-butyl-3-[[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]urea
IUPAC NAME: 1-butyl-3-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]urea
SYSTEMATIC NAME: 1-butyl-3-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]urea
MOLECULAR FORMULA: C16H23F3N6O
MOLECULAR WEIGHT: 372.38863
SMILES: CCCCNC(=O)NNC1=CC(=NC2=CC(=NN21)C(C)(C)C)C(F)(F)F
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Product OPENEYE NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-chloro-benzohydrazide
CAS Name: N'-[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]-4-chlorobenzohydrazide
IUPAC NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-chlorobenzohydrazide
SYSTEMATIC NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-chloranyl-benzohydrazide
MOLECULAR FORMULA: C18H17ClF3N5O
MOLECULAR WEIGHT: 411.80869
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NNC(=O)C3=CC=C(C=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzohydrazide
CAS Name: N'-[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]benzohydrazide
IUPAC NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzohydrazide
SYSTEMATIC NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzohydrazide
MOLECULAR FORMULA: C18H18F3N5O
MOLECULAR WEIGHT: 377.36363
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NNC(=O)C3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3,5-dichloro-benzohydrazide
CAS Name: N'-[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]-3,5-dichlorobenzohydrazide
IUPAC NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3,5-dichlorobenzohydrazide
SYSTEMATIC NAME: N'-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3,5-bis(chloranyl)benzohydrazide
MOLECULAR FORMULA: C18H16Cl2F3N5O
MOLECULAR WEIGHT: 446.25375
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NNC(=O)C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F
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Product OPENEYE NAME: ethyl 2-(5-cyano-2,4-dioxo-pyrimidin-1-yl)acetate
CAS Name: 2-(5-cyano-2,4-dioxo-1-pyrimidinyl)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoate
MOLECULAR FORMULA: C9H9N3O4
MOLECULAR WEIGHT: 223.18546
SMILES: CCOC(=O)CN1C=C(C(=O)NC1=O)C#N
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Product OPENEYE NAME: methyl 3-(5-cyano-2,4-dioxo-pyrimidin-1-yl)thiophene-2-carboxylate
CAS Name: 3-(5-cyano-2,4-dioxo-1-pyrimidinyl)-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(5-cyano-2,4-dioxopyrimidin-1-yl)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]thiophene-2-carboxylate
MOLECULAR FORMULA: C11H7N3O4S
MOLECULAR WEIGHT: 277.25598
SMILES: COC(=O)C1=C(C=CS1)N2C=C(C(=O)NC2=O)C#N
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Product OPENEYE NAME: N-(benzylideneamino)-2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CAS Name: 2-tert-butyl-N-[(phenylmethylene)amino]-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinamine
IUPAC NAME: N-(benzylideneamino)-2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SYSTEMATIC NAME: 2-tert-butyl-N-[(phenylmethylidene)amino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
MOLECULAR FORMULA: C18H18F3N5
MOLECULAR WEIGHT: 361.36423
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NN=CC3=CC=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 2-tert-butyl-N-[(4-chlorophenyl)methyleneamino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CAS Name: 2-tert-butyl-N-[(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinamine
IUPAC NAME: 2-tert-butyl-N-[(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SYSTEMATIC NAME: 2-tert-butyl-N-[(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
MOLECULAR FORMULA: C18H17ClF3N5
MOLECULAR WEIGHT: 395.80929
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NN=CC3=CC=C(C=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: 2-tert-butyl-5-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyleneamino]pyrazolo[1,5-a]pyrimidin-7-amine
CAS Name: 2-tert-butyl-5-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-7-pyrazolo[1,5-a]pyrimidinamine
IUPAC NAME: 2-tert-butyl-5-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[1,5-a]pyrimidin-7-amine
SYSTEMATIC NAME: 2-tert-butyl-5-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[1,5-a]pyrimidin-7-amine
MOLECULAR FORMULA: C19H17F6N5
MOLECULAR WEIGHT: 429.362199
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NN=CC3=CC=C(C=C3)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]-2-[(3-methoxy-3-oxo-propanoyl)amino]propanoate
CAS Name: 3-[[(4-chloroanilino)-oxomethyl]thio]-2-[(3-methoxy-1,3-dioxopropyl)amino]propanoic acid methyl ester
IUPAC NAME: methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]-2-[(3-methoxy-3-oxopropanoyl)amino]propanoate
SYSTEMATIC NAME: methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]-2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]propanoate
MOLECULAR FORMULA: C15H17ClN2O6S
MOLECULAR WEIGHT: 388.82328
SMILES: COC(=O)CC(=O)NC(CSC(=O)NC1=CC=C(C=C1)Cl)C(=O)OC
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Product OPENEYE NAME: methyl 2-[(3-methoxy-3-oxo-propanoyl)amino]-3-[[4-(trifluoromethoxy)phenyl]carbamoylsulfanyl]propanoate
CAS Name: 2-[(3-methoxy-1,3-dioxopropyl)amino]-3-[[oxo-[4-(trifluoromethoxy)anilino]methyl]thio]propanoic acid methyl ester
IUPAC NAME: methyl 2-[(3-methoxy-3-oxopropanoyl)amino]-3-[[4-(trifluoromethoxy)phenyl]carbamoylsulfanyl]propanoate
SYSTEMATIC NAME: methyl 2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-[[4-(trifluoromethyloxy)phenyl]carbamoylsulfanyl]propanoate
MOLECULAR FORMULA: C16H17F3N2O7S
MOLECULAR WEIGHT: 438.37559
SMILES: COC(=O)CC(=O)NC(CSC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C(=O)OC
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Product OPENEYE NAME: methyl 2-[(3-methoxy-3-oxo-propanoyl)amino]-3-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylsulfanyl]propanoate
CAS Name: 2-[(3-methoxy-1,3-dioxopropyl)amino]-3-[[oxo-[4-(trifluoromethylthio)anilino]methyl]thio]propanoic acid methyl ester
IUPAC NAME: methyl 2-[(3-methoxy-3-oxopropanoyl)amino]-3-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylsulfanyl]propanoate
SYSTEMATIC NAME: methyl 2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylsulfanyl]propanoate
MOLECULAR FORMULA: C16H17F3N2O6S2
MOLECULAR WEIGHT: 454.44119
SMILES: COC(=O)CC(=O)NC(CSC(=O)NC1=CC=C(C=C1)SC(F)(F)F)C(=O)OC
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Product OPENEYE NAME: 2-(3-benzyl-1-isopropyl-2,4-dioxo-pyrimidin-5-yl)-N'-[(5-chloro-2-thienyl)sulfonyl]thiazole-4-carbohydrazide
CAS Name: N'-[(5-chloro-2-thiophenyl)sulfonyl]-2-[2,4-dioxo-3-(phenylmethyl)-1-propan-2-yl-5-pyrimidinyl]-4-thiazolecarbohydrazide
IUPAC NAME: 2-(3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-N'-(5-chlorothiophen-2-yl)sulfonyl-1,3-thiazole-4-carbohydrazide
SYSTEMATIC NAME: 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]-N'-(5-chloranylthiophen-2-yl)sulfonyl-1,3-thiazole-4-carbohydrazide
MOLECULAR FORMULA: C22H20ClN5O5S3
MOLECULAR WEIGHT: 566.0727
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C(=O)NNS(=O)(=O)C4=CC=C(S4)Cl
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Product OPENEYE NAME: 3-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-methyl-1H-indole
CAS Name: 2-methyl-3-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methylthio]-1H-indole
IUPAC NAME: 3-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-methyl-1H-indole
SYSTEMATIC NAME: 2-methyl-3-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1H-indole
MOLECULAR FORMULA: C20H20N4S2
MOLECULAR WEIGHT: 380.5296
SMILES: CC1=C(C2=CC=CC=C2N1)SCC3=NN=C(N3C)SCC4=CC=CC=C4
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Product OPENEYE NAME: 3-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methylsulfanyl]-2-methyl-1H-indole
CAS Name: 3-[[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methylthio]-2-methyl-1H-indole
IUPAC NAME: 3-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methylsulfanyl]-2-methyl-1H-indole
SYSTEMATIC NAME: 3-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methylsulfanyl]-2-methyl-1H-indole
MOLECULAR FORMULA: C20H19ClN4S2
MOLECULAR WEIGHT: 414.97466
SMILES: CC1=C(C2=CC=CC=C2N1)SCC3=NN=C(N3C)SCC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 3-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-methyl-1H-indole
CAS Name: 3-[[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]methylthio]-2-methyl-1H-indole
IUPAC NAME: 3-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-methyl-1H-indole
SYSTEMATIC NAME: 3-[(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-methyl-1H-indole
MOLECULAR FORMULA: C15H18N4S2
MOLECULAR WEIGHT: 318.46022
SMILES: CCSC1=NN=C(N1C)CSC2=C(NC3=CC=CC=C32)C
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Product OPENEYE NAME: ethyl 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS Name: 2-[[4-methyl-5-[[(2-methyl-1H-indol-3-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C17H20N4O2S2
MOLECULAR WEIGHT: 376.4963
SMILES: CCOC(=O)CSC1=NN=C(N1C)CSC2=C(NC3=CC=CC=C32)C
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Product OPENEYE NAME: 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
CAS Name: 2-[[4-methyl-5-[[(2-methyl-1H-indol-3-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
IUPAC NAME: 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C21H21N5OS2
MOLECULAR WEIGHT: 423.55434
SMILES: CC1=C(C2=CC=CC=C2N1)SCC3=NN=C(N3C)SCC(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[[4-methyl-5-[[(2-methyl-1H-indol-3-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C21H20ClN5OS2
MOLECULAR WEIGHT: 457.9994
SMILES: CC1=C(C2=CC=CC=C2N1)SCC3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[4-methyl-5-[[(2-methyl-1H-indol-3-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C22H20F3N5OS2
MOLECULAR WEIGHT: 491.55231
SMILES: CC1=C(C2=CC=CC=C2N1)SCC3=NN=C(N3C)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F
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Product OPENEYE NAME: 2-(5-iodo-2-thienyl)pyridine
CAS Name: 2-(5-iodo-2-thiophenyl)pyridine
IUPAC NAME: 2-(5-iodothiophen-2-yl)pyridine
SYSTEMATIC NAME: 2-(5-iodanylthiophen-2-yl)pyridine
MOLECULAR FORMULA: C9H6INS
MOLECULAR WEIGHT: 287.12011
SMILES: C1=CC=NC(=C1)C2=CC=C(S2)I
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Product OPENEYE NAME: [1-[(4-chlorophenyl)methyl]imidazol-2-yl]methyl 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [1-[(4-chlorophenyl)methyl]-2-imidazolyl]methyl ester
IUPAC NAME: [1-[(4-chlorophenyl)methyl]imidazol-2-yl]methyl 4-chlorobenzoate
SYSTEMATIC NAME: [1-[(4-chlorophenyl)methyl]imidazol-2-yl]methyl 4-chloranylbenzoate
MOLECULAR FORMULA: C18H14Cl2N2O2
MOLECULAR WEIGHT: 361.22196
SMILES: C1=CC(=CC=C1CN2C=CN=C2COC(=O)C3=CC=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid 3-[4-methoxy-2-(trifluoromethyl)-6-quinolinyl]prop-2-ynyl ester
IUPAC NAME: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl 4-chlorobenzoate
SYSTEMATIC NAME: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl 4-chloranylbenzoate
MOLECULAR FORMULA: C21H13ClF3NO3
MOLECULAR WEIGHT: 419.78103
SMILES: COC1=CC(=NC2=C1C=C(C=C2)C#CCOC(=O)C3=CC=C(C=C3)Cl)C(F)(F)F
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