Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CAS Name: (2R)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
IUPAC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
SYSTEMATIC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
MOLECULAR FORMULA: C20H30ClN3O3S
MOLECULAR WEIGHT: 427.9885
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (3S)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenyl-propanamide
CAS Name: (3S)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
IUPAC NAME: (3S)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
SYSTEMATIC NAME: (3S)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenyl-propanamide
MOLECULAR FORMULA: C19H22N2O2
MOLECULAR WEIGHT: 310.39018
SMILES: CC1=C(C=C(C=C1)NC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C)C
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Product OPENEYE NAME: 2-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]benzamide
CAS Name: 2-fluoro-N-[2-[2-[(2-fluorophenyl)methylthio]ethylamino]-2-oxoethyl]benzamide
IUPAC NAME: 2-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C18H18F2N2O2S
MOLECULAR WEIGHT: 364.409526
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)CNC(=O)C2=CC=CC=C2F)F
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Product OPENEYE NAME: 1-methyl-3-[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]thiourea
CAS Name: 1-methyl-3-[(E)-(2-oxo-1-propyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-methyl-3-[(E)-(2-oxo-1-propylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C13H16N4OS
MOLECULAR WEIGHT: 276.35734
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NC)/C1=O
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate
CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C25H24N2O4
MOLECULAR WEIGHT: 416.46906
SMILES: CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=C(C=C3)N4CCCC4=O
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Product OPENEYE NAME: (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenyl-propanamide
CAS Name: (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
IUPAC NAME: (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
SYSTEMATIC NAME: (3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenyl-propanamide
MOLECULAR FORMULA: C19H22N2O2
MOLECULAR WEIGHT: 310.39018
SMILES: CC1=C(C=C(C=C1)NC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C)C
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Product OPENEYE NAME: 1-ethyl-3-[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]thiourea
CAS Name: 1-ethyl-3-[(E)-(2-oxo-1-propyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-ethyl-3-[(E)-(2-oxo-1-propylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-ethyl-3-[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C14H18N4OS
MOLECULAR WEIGHT: 290.38392
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NCC)/C1=O
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Product OPENEYE NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CAS Name: (2R)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
IUPAC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SYSTEMATIC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
MOLECULAR FORMULA: C20H31ClN3O3S+
MOLECULAR WEIGHT: 428.99644
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CAS Name: (2R)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
IUPAC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SYSTEMATIC NAME: (2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
MOLECULAR FORMULA: C20H30ClN3O3S
MOLECULAR WEIGHT: 427.9885
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC NAME: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H15ClO5
MOLECULAR WEIGHT: 382.7938
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=CC=CC=C4OC3)Cl
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Product OPENEYE NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]thiourea
CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[(E)-(2-oxo-1-propyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(E)-(2-oxo-1-propylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C18H26N5O2S+
MOLECULAR WEIGHT: 376.49634
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NCC[NH+]3CCOCC3)/C1=O
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Product OPENEYE NAME: 1-(2-morpholinoethyl)-3-[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]thiourea
CAS Name: 1-[2-(4-morpholinyl)ethyl]-3-[(E)-(2-oxo-1-propyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(2-morpholin-4-ylethyl)-3-[(E)-(2-oxo-1-propylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(2-morpholin-4-ylethyl)-3-[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C18H25N5O2S
MOLECULAR WEIGHT: 375.4884
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NCCN3CCOCC3)/C1=O
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(p-tolylsulfonyl)propanamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(4-methylphenyl)sulfonylpropanamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)sulfonylpropanamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-methylphenyl)sulfonyl-propanamide
MOLECULAR FORMULA: C19H22FNO3S2
MOLECULAR WEIGHT: 395.511283
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole
CAS Name: 2-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyloxazole
IUPAC NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C20H21ClN3O3S+
MOLECULAR WEIGHT: 418.91704
SMILES: C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-oxazole
CAS Name: 2-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-5-phenyloxazole
IUPAC NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C20H20ClN3O3S
MOLECULAR WEIGHT: 417.9091
SMILES: C1CN(CCN1CC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-thiazol-5-yl]acetamide
CAS Name: N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-5-thiazolyl]acetamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamide
MOLECULAR FORMULA: C20H19FN2OS
MOLECULAR WEIGHT: 354.441063
SMILES: CC1=C(C=C(C=C1)NC(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)F)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: C[C@@H](C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium
CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium
MOLECULAR FORMULA: C20H26ClN2O4S+
MOLECULAR WEIGHT: 425.94944
SMILES: CC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC
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Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine
CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine
MOLECULAR FORMULA: C20H25ClN2O4S
MOLECULAR WEIGHT: 424.9415
SMILES: CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC
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Product OPENEYE NAME: [(1R)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: C[C@H](C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(2-methoxyethyl)-3-[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]thiourea
CAS Name: 1-(2-methoxyethyl)-3-[(E)-(2-oxo-1-propyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(2-methoxyethyl)-3-[(E)-(2-oxo-1-propylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(2-methoxyethyl)-3-[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C15H20N4O2S
MOLECULAR WEIGHT: 320.4099
SMILES: CCCN1C2=CC=CC=C2/C(=N\NC(=S)NCCOC)/C1=O
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Product OPENEYE NAME: (3R)-1-benzyl-N-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-1-benzyl-N-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(3,4-dimethylphenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C2)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(1-cyanocyclopentyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)ethanamide
MOLECULAR FORMULA: C18H24ClN4O3S+
MOLECULAR WEIGHT: 411.92616
SMILES: C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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