Wednesday, May 8, 2013

All Chemical Compounds Information



Product OPENEYE NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C25H30FN5O2
MOLECULAR WEIGHT: 451.536403
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)[C@H](C)C(=O)N(C)CC4=CC(=CC=C4)F
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Product OPENEYE NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C25H31FN5O2+
MOLECULAR WEIGHT: 452.544343
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CC[NH+](CC3)[C@@H](C)C(=O)N(C)CC4=CC(=CC=C4)F
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Product OPENEYE NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C25H30FN5O2
MOLECULAR WEIGHT: 451.536403
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)[C@@H](C)C(=O)N(C)CC4=CC(=CC=C4)F
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Product OPENEYE NAME: methyl 4-[[[(2R)-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]amino]methyl]benzoate
CAS Name: 4-[[[(2R)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[[(2R)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]amino]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[[(2R)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]amino]methyl]benzoate
MOLECULAR FORMULA: C26H31N5O4
MOLECULAR WEIGHT: 477.55544
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)[C@H](C)C(=O)NCC4=CC=C(C=C4)C(=O)OC
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Product OPENEYE NAME: methyl 4-[[[(2S)-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]amino]methyl]benzoate
CAS Name: 4-[[[(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[[(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]amino]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[[(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]amino]methyl]benzoate
MOLECULAR FORMULA: C26H31N5O4
MOLECULAR WEIGHT: 477.55544
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)[C@@H](C)C(=O)NCC4=CC=C(C=C4)C(=O)OC
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Product OPENEYE NAME: (2S)-N-(cyclohexylcarbamoyl)-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: (2S)-N-[(cyclohexylamino)-oxomethyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: (2S)-N-(cyclohexylcarbamoyl)-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-N-(cyclohexylcarbamoyl)-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C24H34N6O4
MOLECULAR WEIGHT: 470.56456
SMILES: C[C@@H](C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (2R)-N-(cyclohexylcarbamoyl)-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: (2R)-N-(cyclohexylcarbamoyl)-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-(cyclohexylcarbamoyl)-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C24H34N6O4
MOLECULAR WEIGHT: 470.56456
SMILES: C[C@H](C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-1H-indole-3-carboxamide
CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-1H-indole-3-carboxamide
IUPAC NAME: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
SYSTEMATIC NAME: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1H-indole-3-carboxamide
MOLECULAR FORMULA: C26H22N4O
MOLECULAR WEIGHT: 406.47908
SMILES: C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)C4=CNC5=CC=CC=C54
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Product OPENEYE NAME: (2S)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-methyl-propanamide
CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-1-iumyl]-N-methylpropanamide
IUPAC NAME: (2S)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-methylpropanamide
SYSTEMATIC NAME: (2S)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-methyl-propanamide
MOLECULAR FORMULA: C25H31FN5O3+
MOLECULAR WEIGHT: 468.543743
SMILES: C[C@@H](C(=O)N(C)CC1=CC(=CC=C1)F)[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (2S)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methyl-propanamide
CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-N-methylpropanamide
IUPAC NAME: (2S)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide
SYSTEMATIC NAME: (2S)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methyl-propanamide
MOLECULAR FORMULA: C25H30FN5O3
MOLECULAR WEIGHT: 467.535803
SMILES: C[C@@H](C(=O)N(C)CC1=CC(=CC=C1)F)N2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (2R)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-methyl-propanamide
CAS Name: (2R)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-1-iumyl]-N-methylpropanamide
IUPAC NAME: (2R)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-methylpropanamide
SYSTEMATIC NAME: (2R)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-methyl-propanamide
MOLECULAR FORMULA: C25H31FN5O3+
MOLECULAR WEIGHT: 468.543743
SMILES: C[C@H](C(=O)N(C)CC1=CC(=CC=C1)F)[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (2R)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methyl-propanamide
CAS Name: (2R)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-N-methylpropanamide
IUPAC NAME: (2R)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methylpropanamide
SYSTEMATIC NAME: (2R)-N-[(3-fluorophenyl)methyl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-methyl-propanamide
MOLECULAR FORMULA: C25H30FN5O3
MOLECULAR WEIGHT: 467.535803
SMILES: C[C@H](C(=O)N(C)CC1=CC(=CC=C1)F)N2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 3-[(5-chlorothiadiazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-[(5-chloro-4-thiadiazolyl)methyl]-4-oxo-1-phthalazinecarboxylate
IUPAC NAME: 3-[(5-chlorothiadiazol-4-yl)methyl]-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: 3-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C12H6ClN4O3S-
MOLECULAR WEIGHT: 321.71904
SMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(SN=N3)Cl)C(=O)[O-]
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Product OPENEYE NAME: 3-[(5-chlorothiadiazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid
CAS Name: 3-[(5-chloro-4-thiadiazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid
IUPAC NAME: 3-[(5-chlorothiadiazol-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid
SYSTEMATIC NAME: 3-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid
MOLECULAR FORMULA: C12H7ClN4O3S
MOLECULAR WEIGHT: 322.72698
SMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(SN=N3)Cl)C(=O)O
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Product OPENEYE NAME: [(1S)-2-[[1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]-1-(2-furyl)ethyl]-dimethyl-ammonium
CAS Name: [(1S)-2-[[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium
IUPAC NAME: [(1S)-2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SYSTEMATIC NAME: [(1S)-2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C21H21FN5O2S+
MOLECULAR WEIGHT: 426.487143
SMILES: C[NH+](C)[C@@H](CNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)C4=CC=CO4
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