Monday, May 6, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (E)-3-(2-methoxyphenyl)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one
CAS Name: (E)-3-(2-methoxyphenyl)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-2-propen-1-one
IUPAC NAME: (E)-3-(2-methoxyphenyl)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(2-methoxyphenyl)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one
MOLECULAR FORMULA: C24H26N4O4
MOLECULAR WEIGHT: 434.48764
SMILES: COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4OC
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Product OPENEYE NAME: 1H-indol-3-yl-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]methanone
CAS Name: 1H-indol-3-yl-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]methanone
IUPAC NAME: 1H-indol-3-yl-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: 1H-indol-3-yl-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C23H22N4OS
MOLECULAR WEIGHT: 402.51198
SMILES: C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54
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Product OPENEYE NAME: 6-methyl-2-methylsulfanyl-5-[3-oxo-3-[(1-phenylcyclobutyl)methylamino]propyl]pyrimidin-4-olate
CAS Name: 6-methyl-2-(methylthio)-5-[3-oxo-3-[(1-phenylcyclobutyl)methylamino]propyl]-4-pyrimidinolate
IUPAC NAME: 6-methyl-2-methylsulfanyl-5-[3-oxo-3-[(1-phenylcyclobutyl)methylamino]propyl]pyrimidin-4-olate
SYSTEMATIC NAME: 6-methyl-2-methylsulfanyl-5-[3-oxidanylidene-3-[(1-phenylcyclobutyl)methylamino]propyl]pyrimidin-4-olate
MOLECULAR FORMULA: C20H24N3O2S-
MOLECULAR WEIGHT: 370.48846
SMILES: CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCC2(CCC2)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-[(1-phenylcyclobutyl)methyl]propanamide
CAS Name: 3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-N-[(1-phenylcyclobutyl)methyl]propanamide
IUPAC NAME: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-[(1-phenylcyclobutyl)methyl]propanamide
SYSTEMATIC NAME: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[(1-phenylcyclobutyl)methyl]propanamide
MOLECULAR FORMULA: C20H25N3O2S
MOLECULAR WEIGHT: 371.4964
SMILES: CC1=C(C(=O)N=C(N1)SC)CCC(=O)NCC2(CCC2)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(2-chloroanilino)-2-oxo-ethyl]-[(3S)-1-(3-chloro-2-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-ammonium
CAS Name: [2-(2-chloroanilino)-2-oxoethyl]-[(3S)-1-(3-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylammonium
IUPAC NAME: [2-(2-chloroanilino)-2-oxoethyl]-[(3S)-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
SYSTEMATIC NAME: [(3S)-1-(3-chloranyl-2-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C20H20Cl2N3O3+
MOLECULAR WEIGHT: 421.2971
SMILES: CC1=C(C=CC=C1Cl)N2C(=O)C[C@@H](C2=O)[NH+](C)CC(=O)NC3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-[[(3S)-1-(3-chloro-2-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-amino]-N-(2-chlorophenyl)acetamide
CAS Name: 2-[[(3S)-1-(3-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]-N-(2-chlorophenyl)acetamide
IUPAC NAME: 2-[[(3S)-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(2-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-[[(3S)-1-(3-chloranyl-2-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-amino]-N-(2-chlorophenyl)ethanamide
MOLECULAR FORMULA: C20H19Cl2N3O3
MOLECULAR WEIGHT: 420.28916
SMILES: CC1=C(C=CC=C1Cl)N2C(=O)C[C@@H](C2=O)N(C)CC(=O)NC3=CC=CC=C3Cl
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Product OPENEYE NAME: [(3R)-1-(2-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-[2-(2-chloroanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [(3R)-1-(2-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-[2-(2-chloroanilino)-2-oxoethyl]-methylammonium
IUPAC NAME: [(3R)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [(3R)-1-(2-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C19H18BrClN3O3+
MOLECULAR WEIGHT: 451.72152
SMILES: C[NH+](CC(=O)NC1=CC=CC=C1Cl)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3Br
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Product OPENEYE NAME: 2-[[(3R)-1-(2-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-amino]-N-(2-chlorophenyl)acetamide
CAS Name: 2-[[(3R)-1-(2-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]-N-(2-chlorophenyl)acetamide
IUPAC NAME: 2-[[(3R)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(2-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-[[(3R)-1-(2-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-amino]-N-(2-chlorophenyl)ethanamide
MOLECULAR FORMULA: C19H17BrClN3O3
MOLECULAR WEIGHT: 450.71358
SMILES: CN(CC(=O)NC1=CC=CC=C1Cl)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3Br
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Product OPENEYE NAME: [2-(2-chloroanilino)-2-oxo-ethyl]-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-ammonium
CAS Name: [2-(2-chloroanilino)-2-oxoethyl]-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylammonium
IUPAC NAME: [2-(2-chloroanilino)-2-oxoethyl]-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
SYSTEMATIC NAME: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-azanium
MOLECULAR FORMULA: C21H23ClN3O5+
MOLECULAR WEIGHT: 432.87742
SMILES: C[NH+](CC(=O)NC1=CC=CC=C1Cl)[C@@H]2CC(=O)N(C2=O)C3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-amino]acetamide
CAS Name: N-(2-chlorophenyl)-2-[[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[(3R)-1-(2,4-dimethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-amino]ethanamide
MOLECULAR FORMULA: C21H22ClN3O5
MOLECULAR WEIGHT: 431.86948
SMILES: CN(CC(=O)NC1=CC=CC=C1Cl)[C@@H]2CC(=O)N(C2=O)C3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: [2-(2-chloroanilino)-2-oxo-ethyl]-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-ammonium
CAS Name: [2-(2-chloroanilino)-2-oxoethyl]-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylammonium
IUPAC NAME: [2-(2-chloroanilino)-2-oxoethyl]-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
SYSTEMATIC NAME: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(3R)-1-(3,4-dichlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-azanium
MOLECULAR FORMULA: C19H17Cl3N3O3+
MOLECULAR WEIGHT: 441.71558
SMILES: C[NH+](CC(=O)NC1=CC=CC=C1Cl)[C@@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-amino]acetamide
CAS Name: N-(2-chlorophenyl)-2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-amino]ethanamide
MOLECULAR FORMULA: C19H16Cl3N3O3
MOLECULAR WEIGHT: 440.70764
SMILES: CN(CC(=O)NC1=CC=CC=C1Cl)[C@@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: [(3S)-1-(3-chloro-4-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylammonium
IUPAC NAME: [(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [(3S)-1-(3-chloranyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C20H20ClFN3O3+
MOLECULAR WEIGHT: 404.842503
SMILES: CC1=C(C=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+](C)CC(=O)NC3=CC(=CC=C3)F)Cl
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Product OPENEYE NAME: 2-[[(3S)-1-(3-chloro-4-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-amino]-N-(3-fluorophenyl)acetamide
CAS Name: 2-[[(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]-N-(3-fluorophenyl)acetamide
IUPAC NAME: 2-[[(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(3-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[[(3S)-1-(3-chloranyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-amino]-N-(3-fluorophenyl)ethanamide
MOLECULAR FORMULA: C20H19ClFN3O3
MOLECULAR WEIGHT: 403.834563
SMILES: CC1=C(C=C(C=C1)N2C(=O)C[C@@H](C2=O)N(C)CC(=O)NC3=CC(=CC=C3)F)Cl
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Product OPENEYE NAME: [2-(2,3-dimethylanilino)-2-oxo-ethyl]-[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-ammonium
CAS Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylammonium
IUPAC NAME: [2-(2,3-dimethylanilino)-2-oxoethyl]-[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
SYSTEMATIC NAME: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[(3R)-1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-azanium
MOLECULAR FORMULA: C23H28N3O3+
MOLECULAR WEIGHT: 394.48672
SMILES: CC1=C(C(=CC=C1)NC(=O)C[NH+](C)[C@@H]2CC(=O)N(C2=O)C3=C(C=CC=C3C)C)C
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Product OPENEYE NAME: N-(2,3-dimethylphenyl)-2-[[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-amino]acetamide
CAS Name: N-(2,3-dimethylphenyl)-2-[[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetamide
IUPAC NAME: N-(2,3-dimethylphenyl)-2-[[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)-2-[[(3R)-1-(2,6-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-amino]ethanamide
MOLECULAR FORMULA: C23H27N3O3
MOLECULAR WEIGHT: 393.47878
SMILES: CC1=C(C(=CC=C1)NC(=O)CN(C)[C@@H]2CC(=O)N(C2=O)C3=C(C=CC=C3C)C)C
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Product OPENEYE NAME: [(3R)-1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxo-pyrrolidin-3-yl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium
CAS Name: [(3R)-1-[4-(difluoromethylthio)phenyl]-2,5-dioxo-3-pyrrolidinyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium
IUPAC NAME: [(3R)-1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SYSTEMATIC NAME: [(3R)-1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium
MOLECULAR FORMULA: C23H26F2N3O3S+
MOLECULAR WEIGHT: 462.532646
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)SC(F)F)C
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Product OPENEYE NAME: 2-[[(3R)-1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxo-pyrrolidin-3-yl]-methyl-amino]-N-(2,4,6-trimethylphenyl)acetamide
CAS Name: 2-[[(3R)-1-[4-(difluoromethylthio)phenyl]-2,5-dioxo-3-pyrrolidinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
IUPAC NAME: 2-[[(3R)-1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[[(3R)-1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-amino]-N-(2,4,6-trimethylphenyl)ethanamide
MOLECULAR FORMULA: C23H25F2N3O3S
MOLECULAR WEIGHT: 461.524706
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CN(C)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)SC(F)F)C
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