Monday, May 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 6,7-dimethyl-4-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CAS Name: 6,7-dimethyl-4-[[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one
IUPAC NAME: 6,7-dimethyl-4-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]chromen-2-one
SYSTEMATIC NAME: 6,7-dimethyl-4-[(4-piperidin-1-ylcarbonylpiperazin-1-yl)methyl]chromen-2-one
MOLECULAR FORMULA: C22H29N3O3
MOLECULAR WEIGHT: 383.48396
SMILES: CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)N4CCCCC4)C
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Product OPENEYE NAME: (E)-1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(8-quinolyl)prop-2-en-1-one
CAS Name: (E)-1-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(8-quinolinyl)-2-propen-1-one
IUPAC NAME: (E)-1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-quinolin-8-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-quinolin-8-yl-prop-2-en-1-one
MOLECULAR FORMULA: C24H21N3OS
MOLECULAR WEIGHT: 399.50804
SMILES: C1CCN([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=CC5=C4N=CC=C5
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Product OPENEYE NAME: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(8-quinolyl)prop-2-en-1-one
CAS Name: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(8-quinolinyl)-2-propen-1-one
IUPAC NAME: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-quinolin-8-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-quinolin-8-yl-prop-2-en-1-one
MOLECULAR FORMULA: C24H21N3OS
MOLECULAR WEIGHT: 399.50804
SMILES: C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=CC5=C4N=CC=C5
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Product OPENEYE NAME: (E)-N-[2-(2-chlorophenoxy)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methyl-prop-2-enamide
CAS Name: (E)-N-[2-(2-chlorophenoxy)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methyl-2-propenamide
IUPAC NAME: (E)-N-[2-(2-chlorophenoxy)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-(2-chloranylphenoxy)ethyl]-N-methyl-3-[4-(methylsulfonylamino)phenyl]prop-2-enamide
MOLECULAR FORMULA: C19H21ClN2O4S
MOLECULAR WEIGHT: 408.89904
SMILES: CN(CCOC1=CC=CC=C1Cl)C(=O)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C
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Product OPENEYE NAME: 4-[2-(m-tolylmethoxy)benzoyl]-N-phenyl-piperazine-1-carboxamide
CAS Name: 4-[[2-[(3-methylphenyl)methoxy]phenyl]-oxomethyl]-N-phenyl-1-piperazinecarboxamide
IUPAC NAME: 4-[2-[(3-methylphenyl)methoxy]benzoyl]-N-phenylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-[2-[(3-methylphenyl)methoxy]phenyl]carbonyl-N-phenyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C26H27N3O3
MOLECULAR WEIGHT: 429.51088
SMILES: CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-(difluoromethylsulfanyl)benzoyl]-N-phenyl-piperazine-1-carboxamide
CAS Name: 4-[[2-(difluoromethylthio)phenyl]-oxomethyl]-N-phenyl-1-piperazinecarboxamide
IUPAC NAME: 4-[2-(difluoromethylsulfanyl)benzoyl]-N-phenylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-N-phenyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C19H19F2N3O2S
MOLECULAR WEIGHT: 391.434866
SMILES: C1CN(CCN1C(=O)C2=CC=CC=C2SC(F)F)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: (2S)-N,N-dimethyl-4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CAS Name: (2S)-N,N-dimethyl-4-[[4-[(8-methyl-2-imidazo[1,2-a]pyridinyl)methoxy]phenyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
IUPAC NAME: (2S)-N,N-dimethyl-4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SYSTEMATIC NAME: (2S)-N,N-dimethyl-4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
MOLECULAR FORMULA: C27H26N4O4
MOLECULAR WEIGHT: 470.51974
SMILES: CC1=CC=CN2C1=NC(=C2)COC3=CC=C(C=C3)C(=O)N4C[C@H](OC5=CC=CC=C54)C(=O)N(C)C
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Product OPENEYE NAME: (2R)-N,N-dimethyl-4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CAS Name: (2R)-N,N-dimethyl-4-[[4-[(8-methyl-2-imidazo[1,2-a]pyridinyl)methoxy]phenyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
IUPAC NAME: (2R)-N,N-dimethyl-4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SYSTEMATIC NAME: (2R)-N,N-dimethyl-4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
MOLECULAR FORMULA: C27H26N4O4
MOLECULAR WEIGHT: 470.51974
SMILES: CC1=CC=CN2C1=NC(=C2)COC3=CC=C(C=C3)C(=O)N4C[C@@H](OC5=CC=CC=C54)C(=O)N(C)C
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Product OPENEYE NAME: 6-chloro-7-methyl-4-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CAS Name: 6-chloro-7-methyl-4-[[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-chloro-7-methyl-4-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]chromen-2-one
SYSTEMATIC NAME: 6-chloranyl-7-methyl-4-[(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)methyl]chromen-2-one
MOLECULAR FORMULA: C20H24ClN3O3
MOLECULAR WEIGHT: 389.87586
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C(=O)N4CCCC4)Cl
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Product OPENEYE NAME: 7,8-dimethyl-4-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CAS Name: 7,8-dimethyl-4-[[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one
IUPAC NAME: 7,8-dimethyl-4-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]chromen-2-one
SYSTEMATIC NAME: 7,8-dimethyl-4-[(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)methyl]chromen-2-one
MOLECULAR FORMULA: C21H27N3O3
MOLECULAR WEIGHT: 369.45738
SMILES: CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)N4CCCC4)C
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Product OPENEYE NAME: 6-amino-3-methyl-1-propyl-5-[2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione
CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazin-1-iumyl]ethyl]-1-propylpyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-methyl-1-propyl-5-[2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-methyl-1-propyl-5-[2-(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H31N6O4+
MOLECULAR WEIGHT: 407.48724
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCN(CC2)C(=O)N3CCCC3)N
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Product OPENEYE NAME: 6-amino-3-methyl-1-propyl-5-[2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]ethyl]-1-propylpyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-methyl-1-propyl-5-[2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-methyl-1-propyl-5-[2-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)ethanoyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H30N6O4
MOLECULAR WEIGHT: 406.4793
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCN(CC2)C(=O)N3CCCC3)N
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