Wednesday, May 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-N-(2-phenoxyphenyl)propanamide
CAS Name: 3-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenoxyphenyl)propanamide
IUPAC NAME: 3-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-phenoxyphenyl)propanamide
SYSTEMATIC NAME: 3-[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(2-phenoxyphenyl)propanamide
MOLECULAR FORMULA: C24H24FN3O3
MOLECULAR WEIGHT: 421.464063
SMILES: CN(CCC(=O)NC1=CC=CC=C1OC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)F
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Product OPENEYE NAME: [2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]ammonium
CAS Name: [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]ammonium
IUPAC NAME: [2-(3-fluoroanilino)-2-oxoethyl]-methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]azanium
SYSTEMATIC NAME: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]azanium
MOLECULAR FORMULA: C19H17F4N4O2+
MOLECULAR WEIGHT: 409.357493
SMILES: C[NH+](CC1=NC(=NO1)C2=CC=C(C=C2)C(F)(F)F)CC(=O)NC3=CC(=CC=C3)F
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Product OPENEYE NAME: N-(3-fluorophenyl)-2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
CAS Name: N-(3-fluorophenyl)-2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
IUPAC NAME: N-(3-fluorophenyl)-2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
SYSTEMATIC NAME: N-(3-fluorophenyl)-2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]ethanamide
MOLECULAR FORMULA: C19H16F4N4O2
MOLECULAR WEIGHT: 408.349553
SMILES: CN(CC1=NC(=NO1)C2=CC=C(C=C2)C(F)(F)F)CC(=O)NC3=CC(=CC=C3)F
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Product OPENEYE NAME: [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[3-(p-tolyl)isoxazol-5-yl]methanone
CAS Name: [4-(2,3-dichlorophenyl)sulfonyl-1-piperazinyl]-[3-(4-methylphenyl)-5-isoxazolyl]methanone
IUPAC NAME: [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
SYSTEMATIC NAME: [4-[2,3-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
MOLECULAR FORMULA: C21H19Cl2N3O4S
MOLECULAR WEIGHT: 480.36426
SMILES: CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C(=CC=C4)Cl)Cl
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Product OPENEYE NAME: N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-3-phenyl-imidazole-4-carboxamide
CAS Name: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-phenyl-4-imidazolecarboxamide
IUPAC NAME: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-phenylimidazole-4-carboxamide
SYSTEMATIC NAME: N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]-3-phenyl-imidazole-4-carboxamide
MOLECULAR FORMULA: C19H18N4O2
MOLECULAR WEIGHT: 334.37182
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=CN=CN2C3=CC=CC=C3
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N'-[1-oxo-2-(2-phenylphenoxy)ethyl]acetohydrazide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SYSTEMATIC NAME: 2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N'-[2-(2-phenylphenoxy)ethanoyl]ethanehydrazide
MOLECULAR FORMULA: C22H22N4O4
MOLECULAR WEIGHT: 406.43448
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3
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Product OPENEYE NAME: N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-4-pyrrol-1-yl-benzamide
CAS Name: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-(1-pyrrolyl)benzamide
IUPAC NAME: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-pyrrol-1-ylbenzamide
SYSTEMATIC NAME: N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]-4-pyrrol-1-yl-benzamide
MOLECULAR FORMULA: C20H19N3O2
MOLECULAR WEIGHT: 333.38376
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=CC=C3
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Product OPENEYE NAME: 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]acetamide
CAS Name: 2-[(1S)-1-cyclopent-2-enyl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]acetamide
IUPAC NAME: 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]acetamide
SYSTEMATIC NAME: 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)C[C@@H]2CCC=C2
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Product OPENEYE NAME: 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]acetamide
CAS Name: 2-[(1R)-1-cyclopent-2-enyl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]acetamide
IUPAC NAME: 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]acetamide
SYSTEMATIC NAME: 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)C[C@H]2CCC=C2
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethanamide
MOLECULAR FORMULA: C17H19N3O4
MOLECULAR WEIGHT: 329.35046
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)NCC2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: N-[2-[4-[2-(methylamino)-2-oxo-ethyl]anilino]-2-oxo-ethyl]benzamide
CAS Name: N-[2-[4-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]benzamide
IUPAC NAME: N-[2-[4-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-[2-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C18H19N3O3
MOLECULAR WEIGHT: 325.36176
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(5-methyl-2-furyl)thiazol-4-yl]-(4-tetralin-6-ylsulfonylpiperazin-1-yl)methanone
CAS Name: [2-(5-methyl-2-furanyl)-4-thiazolyl]-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methanone
IUPAC NAME: [2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: [2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C23H25N3O4S2
MOLECULAR WEIGHT: 471.5923
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCCC5)C=C4
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Product OPENEYE NAME: 4-[(2-methoxyphenyl)sulfamoyl]-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]benzamide
CAS Name: 4-[(2-methoxyphenyl)sulfamoyl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
IUPAC NAME: 4-[(2-methoxyphenyl)sulfamoyl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SYSTEMATIC NAME: 4-[(2-methoxyphenyl)sulfamoyl]-N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]benzamide
MOLECULAR FORMULA: C23H23N3O5S
MOLECULAR WEIGHT: 453.51082
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC
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Product OPENEYE NAME: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]acetamide
CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]acetamide
IUPAC NAME: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]acetamide
SYSTEMATIC NAME: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]ethanamide
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NC3=CC=C(C=C3)CC(=O)NC
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Product OPENEYE NAME: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]acetamide
CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]acetamide
IUPAC NAME: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]acetamide
SYSTEMATIC NAME: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]ethanamide
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=CC=C(C=C3)CC(=O)NC
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Product OPENEYE NAME: N-[2-[(5Z)-5-benzylidene-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-[2-[(5Z)-2,4-dioxo-5-(phenylmethylene)-3-thiazolidinyl]ethyl]acetamide
IUPAC NAME: N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetamide
SYSTEMATIC NAME: N-[2-[(5Z)-2,4-bis(oxidanylidene)-5-(phenylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethanamide
MOLECULAR FORMULA: C20H20N4O4S
MOLECULAR WEIGHT: 412.4622
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)NCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=O
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Product OPENEYE NAME: N'-[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]-4-ethoxy-benzohydrazide
CAS Name: N'-[2-(2-bromo-4-cyano-6-ethoxyphenoxy)-1-oxoethyl]-4-ethoxybenzohydrazide
IUPAC NAME: N'-[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]-4-ethoxybenzohydrazide
SYSTEMATIC NAME: N'-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoyl]-4-ethoxy-benzohydrazide
MOLECULAR FORMULA: C20H20BrN3O5
MOLECULAR WEIGHT: 462.2939
SMILES: CCOC1=CC=C(C=C1)C(=O)NNC(=O)COC2=C(C=C(C=C2Br)C#N)OCC
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Product OPENEYE NAME: 4-(benzotriazol-1-ylmethyl)-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]benzamide
CAS Name: 4-(1-benzotriazolylmethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
IUPAC NAME: 4-(benzotriazol-1-ylmethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SYSTEMATIC NAME: 4-(benzotriazol-1-ylmethyl)-N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]benzamide
MOLECULAR FORMULA: C23H21N5O2
MOLECULAR WEIGHT: 399.44514
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3
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Product OPENEYE NAME: N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]furan-3-carboxamide
CAS Name: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-furancarboxamide
IUPAC NAME: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]furan-3-carboxamide
SYSTEMATIC NAME: N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]furan-3-carboxamide
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=COC=C2
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Product OPENEYE NAME: N-(6-methoxy-3-pyridyl)-4-methyl-2-(5-methyl-2-furyl)thiazole-5-carboxamide
CAS Name: N-(6-methoxy-3-pyridinyl)-4-methyl-2-(5-methyl-2-furanyl)-5-thiazolecarboxamide
IUPAC NAME: N-(6-methoxypyridin-3-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-(6-methoxypyridin-3-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: CC1=CC=C(O1)C2=NC(=C(S2)C(=O)NC3=CN=C(C=C3)OC)C
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Product OPENEYE NAME: N-(6-methoxy-3-pyridyl)-2-(5-methyl-2-furyl)thiazole-4-carboxamide
CAS Name: N-(6-methoxy-3-pyridinyl)-2-(5-methyl-2-furanyl)-4-thiazolecarboxamide
IUPAC NAME: N-(6-methoxypyridin-3-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-(6-methoxypyridin-3-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C15H13N3O3S
MOLECULAR WEIGHT: 315.34702
SMILES: CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC3=CN=C(C=C3)OC
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Product OPENEYE NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(6-methoxy-3-pyridyl)acetamide
CAS Name: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)acetamide
IUPAC NAME: 2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(6-methoxypyridin-3-yl)acetamide
SYSTEMATIC NAME: 2-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-(6-methoxypyridin-3-yl)ethanamide
MOLECULAR FORMULA: C14H16N4O3
MOLECULAR WEIGHT: 288.30184
SMILES: CC1=C(C(=O)N=C(N1)C)CC(=O)NC2=CN=C(C=C2)OC
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Product OPENEYE NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridyl)butanamide
CAS Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)butanamide
IUPAC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxypyridin-3-yl)butanamide
SYSTEMATIC NAME: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxypyridin-3-yl)butanamide
MOLECULAR FORMULA: C16H22N4O3
MOLECULAR WEIGHT: 318.37088
SMILES: CC(C)(C)C1=NOC(=N1)CCCC(=O)NC2=CN=C(C=C2)OC
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-[2-(cyclopentylamino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-[2-(cyclopentylamino)-2-oxoethyl]-methylammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-[2-(cyclopentylamino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C16H23BrN3O2+
MOLECULAR WEIGHT: 369.27672
SMILES: C[NH+](CC(=O)NC1CCCC1)CC(=O)NC2=CC=CC=C2Br
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