Wednesday, June 19, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile
CAS Name: 4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarbonitrile
IUPAC NAME: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C17H22N6O3
MOLECULAR WEIGHT: 358.39498
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C(=O)N(C(=O)N3C)C)C#N
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Product OPENEYE NAME: 4-[[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[[4-(7-chloro-4-quinazolinyl)-1-piperazin-1-iumyl]methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C18H21ClN5O+
MOLECULAR WEIGHT: 358.84524
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl
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Product OPENEYE NAME: 4-[[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[[4-(7-chloro-4-quinazolinyl)-1-piperazinyl]methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[[4-(7-chloranylquinazolin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C18H20ClN5O
MOLECULAR WEIGHT: 357.8373
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl
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Product OPENEYE NAME: 4-[[4-(3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[[4-(3-chloro-2-methyl-5-pyrazolo[1,5-a]quinazolinyl)-1-piperazin-1-iumyl]methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[[4-(3-chloranyl-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C21H24ClN6O+
MOLECULAR WEIGHT: 411.90786
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC4=C(C(=NN4C5=CC=CC=C53)C)Cl
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Product OPENEYE NAME: 4-[[4-(3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[[4-(3-chloro-2-methyl-5-pyrazolo[1,5-a]quinazolinyl)-1-piperazinyl]methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[[4-(3-chloranyl-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C21H23ClN6O
MOLECULAR WEIGHT: 410.89992
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC4=C(C(=NN4C5=CC=CC=C53)C)Cl
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Product OPENEYE NAME: methyl (2R)-2-cyano-2-[3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]acetate
CAS Name: (2R)-2-cyano-2-[3-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-2-quinoxalinyl]acetic acid methyl ester
IUPAC NAME: methyl (2R)-2-cyano-2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]acetate
SYSTEMATIC NAME: methyl (2R)-2-cyano-2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanoate
MOLECULAR FORMULA: C22H25N6O3+
MOLECULAR WEIGHT: 421.4723
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-cyano-2-[3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]acetate
CAS Name: (2R)-2-cyano-2-[3-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester
IUPAC NAME: methyl (2R)-2-cyano-2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]acetate
SYSTEMATIC NAME: methyl (2R)-2-cyano-2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate
MOLECULAR FORMULA: C22H24N6O3
MOLECULAR WEIGHT: 420.46436
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)C(=O)OC
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Product OPENEYE NAME: methyl (2S)-2-cyano-2-[3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]acetate
CAS Name: (2S)-2-cyano-2-[3-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-2-quinoxalinyl]acetic acid methyl ester
IUPAC NAME: methyl (2S)-2-cyano-2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]acetate
SYSTEMATIC NAME: methyl (2S)-2-cyano-2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanoate
MOLECULAR FORMULA: C22H25N6O3+
MOLECULAR WEIGHT: 421.4723
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4N=C3[C@@H](C#N)C(=O)OC
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Product OPENEYE NAME: methyl (2S)-2-cyano-2-[3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]acetate
CAS Name: (2S)-2-cyano-2-[3-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester
IUPAC NAME: methyl (2S)-2-cyano-2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]acetate
SYSTEMATIC NAME: methyl (2S)-2-cyano-2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate
MOLECULAR FORMULA: C22H24N6O3
MOLECULAR WEIGHT: 420.46436
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3[C@@H](C#N)C(=O)OC
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-ium-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(3-nitro-2-imidazo[1,2-a]pyridinyl)-1-piperazin-1-iumyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C17H21N6O3+
MOLECULAR WEIGHT: 357.38704
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(3-nitro-2-imidazo[1,2-a]pyridinyl)-1-piperazinyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C17H20N6O3
MOLECULAR WEIGHT: 356.3791
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C15H20N5O3+
MOLECULAR WEIGHT: 318.351
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-(5-nitro-2-pyridyl)piperazin-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(5-nitro-2-pyridinyl)-1-piperazinyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(5-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(5-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C15H19N5O3
MOLECULAR WEIGHT: 317.34306
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C23H25N6O+
MOLECULAR WEIGHT: 401.4842
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazinyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C23H24N6O
MOLECULAR WEIGHT: 400.47626
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C21H24N5OS2+
MOLECULAR WEIGHT: 426.57816
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C)C5=CC=CS5
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C21H23N5OS2
MOLECULAR WEIGHT: 425.57022
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C)C5=CC=CS5
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Product OPENEYE NAME: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide
CAS Name: 4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-N-methyl-3-nitrobenzenesulfonamide
IUPAC NAME: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-N-methyl-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C17H24N5O5S+
MOLECULAR WEIGHT: 410.46796
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]
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Product OPENEYE NAME: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide
CAS Name: 4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-N-methyl-3-nitrobenzenesulfonamide
IUPAC NAME: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-methyl-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C17H23N5O5S
MOLECULAR WEIGHT: 409.46002
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(3-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C15H20N5O3+
MOLECULAR WEIGHT: 318.351
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dimethyl-4-[[4-(3-nitro-2-pyridyl)piperazin-1-yl]methyl]isoxazole
CAS Name: 3,5-dimethyl-4-[[4-(3-nitro-2-pyridinyl)-1-piperazinyl]methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[[4-(3-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[[4-(3-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
MOLECULAR FORMULA: C15H19N5O3
MOLECULAR WEIGHT: 317.34306
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]
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Product OPENEYE NAME: [4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone
CAS Name: [4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]-phenylmethanone
IUPAC NAME: [4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]-phenylmethanone
SYSTEMATIC NAME: [4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone
MOLECULAR FORMULA: C23H25N4O4+
MOLECULAR WEIGHT: 421.469
SMILES: CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: [4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone
CAS Name: [4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-3-nitrophenyl]-phenylmethanone
IUPAC NAME: [4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-nitrophenyl]-phenylmethanone
SYSTEMATIC NAME: [4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone
MOLECULAR FORMULA: C23H24N4O4
MOLECULAR WEIGHT: 420.46106
SMILES: CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 2-nitro-N-[(5-phenyloxazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CAS Name: 2-nitro-N-[(5-phenyl-2-oxazolyl)methyl]-4-(trifluoromethyl)aniline
IUPAC NAME: 2-nitro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-nitro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline
MOLECULAR FORMULA: C17H12F3N3O3
MOLECULAR WEIGHT: 363.29069
SMILES: C1=CC=C(C=C1)C2=CN=C(O2)CNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
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