Tuesday, May 7, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-benzhydryloxy-N-(5-chloro-2-methoxy-phenyl)acetamide
CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(diphenylmethyl)oxyacetamide
IUPAC NAME: 2-benzhydryloxy-N-(5-chloro-2-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methoxy-phenyl)-2-(diphenylmethyl)oxy-ethanamide
MOLECULAR FORMULA: C22H20ClNO3
MOLECULAR WEIGHT: 381.8521
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)COC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: p-tolyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate
CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid (4-methylphenyl) ester
IUPAC NAME: (4-methylphenyl) (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate
SYSTEMATIC NAME: (4-methylphenyl) (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate
MOLECULAR FORMULA: C23H31NO3
MOLECULAR WEIGHT: 369.49714
SMILES: CC1=CC=C(C=C1)OC(=O)[C@@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: p-tolyl (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate
CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid (4-methylphenyl) ester
IUPAC NAME: (4-methylphenyl) (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate
SYSTEMATIC NAME: (4-methylphenyl) (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate
MOLECULAR FORMULA: C23H31NO3
MOLECULAR WEIGHT: 369.49714
SMILES: CC1=CC=C(C=C1)OC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: methyl 4-[(2-tetralin-6-ylacetyl)amino]benzoate
CAS Name: 4-[[1-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]benzoate
MOLECULAR FORMULA: C20H21NO3
MOLECULAR WEIGHT: 323.38564
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC3=C(CCCC3)C=C2
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Product OPENEYE NAME: N-(3-acetamidophenyl)-2-benzhydryloxy-acetamide
CAS Name: N-(3-acetamidophenyl)-2-(diphenylmethyl)oxyacetamide
IUPAC NAME: N-(3-acetamidophenyl)-2-benzhydryloxyacetamide
SYSTEMATIC NAME: N-(3-acetamidophenyl)-2-(diphenylmethyl)oxy-ethanamide
MOLECULAR FORMULA: C23H22N2O3
MOLECULAR WEIGHT: 374.43238
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)COC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-(3-acetamidophenyl)-2-tetralin-6-yl-acetamide
CAS Name: N-(3-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
IUPAC NAME: N-(3-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SYSTEMATIC NAME: N-(3-acetamidophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamide
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)CC2=CC3=C(CCCC3)C=C2
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Product OPENEYE NAME: 2-benzhydryloxy-N-(2-fluorophenyl)acetamide
CAS Name: 2-(diphenylmethyl)oxy-N-(2-fluorophenyl)acetamide
IUPAC NAME: 2-benzhydryloxy-N-(2-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-(diphenylmethyl)oxy-N-(2-fluorophenyl)ethanamide
MOLECULAR FORMULA: C21H18FNO2
MOLECULAR WEIGHT: 335.371523
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)NC3=CC=CC=C3F
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Product OPENEYE NAME: N-(2-fluorophenyl)-2-tetralin-6-yl-acetamide
CAS Name: N-(2-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
IUPAC NAME: N-(2-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SYSTEMATIC NAME: N-(2-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamide
MOLECULAR FORMULA: C18H18FNO
MOLECULAR WEIGHT: 283.340023
SMILES: C1CCC2=C(C1)C=CC(=C2)CC(=O)NC3=CC=CC=C3F
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Product OPENEYE NAME: N-(2,4-dichlorophenyl)-2-(2-methyl-N-methylsulfonyl-anilino)acetamide
CAS Name: N-(2,4-dichlorophenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
IUPAC NAME: N-(2,4-dichlorophenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
SYSTEMATIC NAME: N-(2,4-dichlorophenyl)-2-[(2-methylphenyl)-methylsulfonyl-amino]ethanamide
MOLECULAR FORMULA: C16H16Cl2N2O3S
MOLECULAR WEIGHT: 387.28084
SMILES: CC1=CC=CC=C1N(CC(=O)NC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-yl)-4-(methoxymethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide
CAS Name: N-(1,3-benzothiazol-2-yl)-4-(methoxymethyl)-N-[[(2S)-2-oxolanyl]methyl]benzamide
IUPAC NAME: N-(1,3-benzothiazol-2-yl)-4-(methoxymethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-4-(methoxymethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
MOLECULAR FORMULA: C21H22N2O3S
MOLECULAR WEIGHT: 382.47598
SMILES: COCC1=CC=C(C=C1)C(=O)N(C[C@@H]2CCCO2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-yl)-4-(methoxymethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide
CAS Name: N-(1,3-benzothiazol-2-yl)-4-(methoxymethyl)-N-[[(2R)-2-oxolanyl]methyl]benzamide
IUPAC NAME: N-(1,3-benzothiazol-2-yl)-4-(methoxymethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-4-(methoxymethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
MOLECULAR FORMULA: C21H22N2O3S
MOLECULAR WEIGHT: 382.47598
SMILES: COCC1=CC=C(C=C1)C(=O)N(C[C@H]2CCCO2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 4-(methoxymethyl)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]benzamide
CAS Name: 4-(methoxymethyl)-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]benzamide
IUPAC NAME: 4-(methoxymethyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-(methoxymethyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C20H20N2O3S
MOLECULAR WEIGHT: 368.4494
SMILES: CC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)COC)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-fluorophenyl)thiazol-4-yl]acetamide
CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-fluorophenyl)-4-thiazolyl]acetamide
IUPAC NAME: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SYSTEMATIC NAME: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamide
MOLECULAR FORMULA: C23H25FN2O3S
MOLECULAR WEIGHT: 428.519603
SMILES: CCOC1=C(C=C(C=C1)CCNC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)F)OCC
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Product OPENEYE NAME: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-tetralin-6-yl-acetamide
CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
IUPAC NAME: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SYSTEMATIC NAME: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamide
MOLECULAR FORMULA: C26H30N4O4
MOLECULAR WEIGHT: 462.5408
SMILES: COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=CC4=C(CCCC4)C=C3
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Product OPENEYE NAME: 2-benzhydryloxy-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide
CAS Name: 2-(diphenylmethyl)oxy-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide
IUPAC NAME: 2-benzhydryloxy-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-(diphenylmethyl)oxy-N-(2-methoxyethyl)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C27H27N3O4
MOLECULAR WEIGHT: 457.52098
SMILES: COCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)COC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide
CAS Name: (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-propenamide
IUPAC NAME: (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-[2,4-bis[bis(fluoranyl)methoxy]phenyl]-N-(2-methoxyethyl)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]prop-2-enamide
MOLECULAR FORMULA: C23H21F4N3O5
MOLECULAR WEIGHT: 495.423553
SMILES: COCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)/C=C/C3=C(C=C(C=C3)OC(F)F)OC(F)F
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Product OPENEYE NAME: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-ethyl-[2-(4-fluorobenzoyl)azo-2-oxo-ethyl]ammonium
CAS Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)-oxomethyl]azo-2-oxoethyl]ammonium
IUPAC NAME: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-[(4-fluorobenzoyl)diazenyl]-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-ethyl-[2-[(4-fluorophenyl)carbonyldiazenyl]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C20H21ClFN4O3+
MOLECULAR WEIGHT: 419.857143
SMILES: CC[NH+](CC(=O)NCC1=CC=C(C=C1)Cl)CC(=O)N=NC(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: N-[2-[[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-ethyl-amino]acetyl]imino-4-fluoro-benzamide
CAS Name: N-[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-1-oxoethyl]imino-4-fluorobenzamide
IUPAC NAME: N-[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]imino-4-fluorobenzamide
SYSTEMATIC NAME: N-[2-[[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-ethyl-amino]ethanoylimino]-4-fluoranyl-benzamide
MOLECULAR FORMULA: C20H20ClFN4O3
MOLECULAR WEIGHT: 418.849203
SMILES: CCN(CC(=O)NCC1=CC=C(C=C1)Cl)CC(=O)N=NC(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-(4-phenoxybutylamino)benzonitrile
CAS Name: 2-(4-phenoxybutylamino)benzonitrile
IUPAC NAME: 2-(4-phenoxybutylamino)benzonitrile
SYSTEMATIC NAME: 2-(4-phenoxybutylamino)benzenecarbonitrile
MOLECULAR FORMULA: C17H18N2O
MOLECULAR WEIGHT: 266.33762
SMILES: C1=CC=C(C=C1)OCCCCNC2=CC=CC=C2C#N
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Product OPENEYE NAME: 1-[2-[(2-cyanoanilino)methyl]phenyl]-N-isopropyl-methanesulfonamide
CAS Name: 1-[2-[(2-cyanoanilino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
IUPAC NAME: 1-[2-[(2-cyanoanilino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SYSTEMATIC NAME: 1-[2-[[(2-cyanophenyl)amino]methyl]phenyl]-N-propan-2-yl-methanesulfonamide
MOLECULAR FORMULA: C18H21N3O2S
MOLECULAR WEIGHT: 343.44324
SMILES: CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC2=CC=CC=C2C#N
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Product OPENEYE NAME: 4-nitro-7-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2,1,3-benzoxadiazole
CAS Name: 4-nitro-7-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2,1,3-benzoxadiazole
IUPAC NAME: 4-nitro-7-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2,1,3-benzoxadiazole
SYSTEMATIC NAME: 4-nitro-7-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2,1,3-benzoxadiazole
MOLECULAR FORMULA: C17H13N5O3
MOLECULAR WEIGHT: 335.31682
SMILES: C1CN(CC2=C1NC3=CC=CC=C23)C4=CC=C(C5=NON=C45)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[(5-chloro-2-thienyl)methylsulfanyl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
IUPAC NAME: 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SYSTEMATIC NAME: 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]ethanamide
MOLECULAR FORMULA: C15H12Cl2N4OS2
MOLECULAR WEIGHT: 399.31798
SMILES: C1=CC(=C(C=C1Cl)NC(=O)CSCC2=CC=C(S2)Cl)N3C=NC=N3
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Product OPENEYE NAME: morpholino-[3-nitro-4-[[2-(phenoxymethyl)phenyl]methylamino]phenyl]methanone
CAS Name: 4-morpholinyl-[3-nitro-4-[[2-(phenoxymethyl)phenyl]methylamino]phenyl]methanone
IUPAC NAME: morpholin-4-yl-[3-nitro-4-[[2-(phenoxymethyl)phenyl]methylamino]phenyl]methanone
SYSTEMATIC NAME: morpholin-4-yl-[3-nitro-4-[[2-(phenoxymethyl)phenyl]methylamino]phenyl]methanone
MOLECULAR FORMULA: C25H25N3O5
MOLECULAR WEIGHT: 447.4831
SMILES: C1COCCN1C(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3COC4=CC=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-thienyl)propanamide
CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
IUPAC NAME: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
SYSTEMATIC NAME: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-thiophen-2-yl-propanamide
MOLECULAR FORMULA: C15H13ClN4OS
MOLECULAR WEIGHT: 332.80792
SMILES: C1=CSC(=C1)CCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3
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