Thursday, January 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylene]-4-(p-tolyl)-1,3,4-thiadiazol-2-yl]-phenyl-methanone
CAS Name: [5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylidene]-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone
IUPAC NAME: [5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylidene]-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone
SYSTEMATIC NAME: [5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylidene]-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenyl-methanone
MOLECULAR FORMULA: C28H25N3O3S
MOLECULAR WEIGHT: 483.5814
SMILES: CC1=CC=C(C=C1)N2C(=CC3=NCCC4=CC(=C(C=C43)OC)OC)SC(=N2)C(=O)C5=CC=CC=C5
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Product OPENEYE NAME: 2,5-diphenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)pyrazol-3-one
CAS Name: 2,5-diphenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)-3-pyrazolone
IUPAC NAME: 2,5-diphenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)pyrazol-3-one
SYSTEMATIC NAME: 2,5-diphenyl-4-(5-phenyl-1,3-oxathiol-2-ylidene)pyrazol-3-one
MOLECULAR FORMULA: C24H16N2O2S
MOLECULAR WEIGHT: 396.46104
SMILES: C1=CC=C(C=C1)C2=CSC(=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O2
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Product OPENEYE NAME: ethyl 4-cyano-2,3-diphenyl-5-styryl-3H-pyrazole-4-carboxylate
CAS Name: 4-cyano-2,3-diphenyl-5-(2-phenylethenyl)-3H-pyrazole-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-cyano-2,3-diphenyl-5-(2-phenylethenyl)-3H-pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 4-cyano-2,3-diphenyl-5-(2-phenylethenyl)-3H-pyrazole-4-carboxylate
MOLECULAR FORMULA: C27H23N3O2
MOLECULAR WEIGHT: 421.49042
SMILES: CCOC(=O)C1(C(N(N=C1C=CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N
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Product OPENEYE NAME: 5-(4-chlorophenyl)-1-phenyl-3-styryl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CAS Name: 5-(4-chlorophenyl)-1-phenyl-3-(2-phenylethenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
IUPAC NAME: 5-(4-chlorophenyl)-1-phenyl-3-(2-phenylethenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SYSTEMATIC NAME: 5-(4-chlorophenyl)-1-phenyl-3-(2-phenylethenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
MOLECULAR FORMULA: C25H18ClN3O2
MOLECULAR WEIGHT: 427.88232
SMILES: C1=CC=C(C=C1)C=CC2=NN(C3C2C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
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Product OPENEYE NAME: 4-(4-chlorophenyl)-2-phenyl-5-styryl-pyrazole-3-carbonitrile
CAS Name: 4-(4-chlorophenyl)-2-phenyl-5-(2-phenylethenyl)-3-pyrazolecarbonitrile
IUPAC NAME: 4-(4-chlorophenyl)-2-phenyl-5-(2-phenylethenyl)pyrazole-3-carbonitrile
SYSTEMATIC NAME: 4-(4-chlorophenyl)-2-phenyl-5-(2-phenylethenyl)pyrazole-3-carbonitrile
MOLECULAR FORMULA: C24H16ClN3
MOLECULAR WEIGHT: 381.85694
SMILES: C1=CC=C(C=C1)C=CC2=NN(C(=C2C3=CC=C(C=C3)Cl)C#N)C4=CC=CC=C4
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Product OPENEYE NAME: 4-(4-bromophenyl)-2-phenyl-5-styryl-pyrazole-3-carbonitrile
CAS Name: 4-(4-bromophenyl)-2-phenyl-5-(2-phenylethenyl)-3-pyrazolecarbonitrile
IUPAC NAME: 4-(4-bromophenyl)-2-phenyl-5-(2-phenylethenyl)pyrazole-3-carbonitrile
SYSTEMATIC NAME: 4-(4-bromophenyl)-2-phenyl-5-(2-phenylethenyl)pyrazole-3-carbonitrile
MOLECULAR FORMULA: C24H16BrN3
MOLECULAR WEIGHT: 426.30794
SMILES: C1=CC=C(C=C1)C=CC2=NN(C(=C2C3=CC=C(C=C3)Br)C#N)C4=CC=CC=C4
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Product OPENEYE NAME: (8,9-diethoxy-10b-methyl-1-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)-(2-naphthyl)methanone
CAS Name: (8,9-diethoxy-10b-methyl-1-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)-(2-naphthalenyl)methanone
IUPAC NAME: (8,9-diethoxy-10b-methyl-1-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)-naphthalen-2-ylmethanone
SYSTEMATIC NAME: (8,9-diethoxy-10b-methyl-1-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)-naphthalen-2-yl-methanone
MOLECULAR FORMULA: C32H31N3O3
MOLECULAR WEIGHT: 505.60684
SMILES: CCOC1=C(C=C2C(=C1)CCN3C2(N(N=C3C(=O)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6)C)OCC
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Product OPENEYE NAME: 4-bromo-N-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
CAS Name: 4-bromo-N-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
IUPAC NAME: 4-bromo-N-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
SYSTEMATIC NAME: 4-bromanyl-N-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
MOLECULAR FORMULA: C13H10BrCl2NO2S
MOLECULAR WEIGHT: 395.099
SMILES: C1=CC(=CC=C1S(=O)(=O)NCC2=CC(=C(C=C2)Cl)Cl)Br
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Product OPENEYE NAME: 2-(5-methyl-2-furyl)-N-undecyl-quinoline-4-carboxamide
CAS Name: 2-(5-methyl-2-furanyl)-N-undecyl-4-quinolinecarboxamide
IUPAC NAME: 2-(5-methylfuran-2-yl)-N-undecylquinoline-4-carboxamide
SYSTEMATIC NAME: 2-(5-methylfuran-2-yl)-N-undecyl-quinoline-4-carboxamide
MOLECULAR FORMULA: C26H34N2O2
MOLECULAR WEIGHT: 406.56036
SMILES: CCCCCCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(O3)C
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Product OPENEYE NAME: 2-(2,4-dinitrophenyl)sulfanyl-4-hydroxy-1H-pyrimidin-6-one
CAS Name: 2-[(2,4-dinitrophenyl)thio]-4-hydroxy-1H-pyrimidin-6-one
IUPAC NAME: 2-(2,4-dinitrophenyl)sulfanyl-4-hydroxy-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-(2,4-dinitrophenyl)sulfanyl-4-oxidanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C10H6N4O6S
MOLECULAR WEIGHT: 310.24284
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC(=CC(=O)N2)O
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Product OPENEYE NAME: 4-[[3,4-bis(o-tolylmethoxy)phenyl]methylene]-2-(m-tolyl)oxazol-5-one
CAS Name: 4-[[3,4-bis[(2-methylphenyl)methoxy]phenyl]methylidene]-2-(3-methylphenyl)-5-oxazolone
IUPAC NAME: 4-[[3,4-bis[(2-methylphenyl)methoxy]phenyl]methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[[3,4-bis[(2-methylphenyl)methoxy]phenyl]methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
MOLECULAR FORMULA: C33H29NO4
MOLECULAR WEIGHT: 503.58766
SMILES: CC1=CC=CC(=C1)C2=NC(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C)OCC5=CC=CC=C5C)C(=O)O2
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Product OPENEYE NAME: 6-bromo-2-(2-bromo-5-methoxy-phenyl)-3-(m-tolyl)-1,2-dihydroquinazolin-4-one
CAS Name: 6-bromo-2-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
IUPAC NAME: 6-bromo-2-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SYSTEMATIC NAME: 6-bromanyl-2-(2-bromanyl-5-methoxy-phenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
MOLECULAR FORMULA: C22H18Br2N2O2
MOLECULAR WEIGHT: 502.19852
SMILES: CC1=CC(=CC=C1)N2C(NC3=C(C2=O)C=C(C=C3)Br)C4=C(C=CC(=C4)OC)Br
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Product OPENEYE NAME: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-oxo-ethyl]-4-methyl-benzamide
CAS Name: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-2-oxoethyl]-4-methylbenzamide
IUPAC NAME: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
SYSTEMATIC NAME: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-benzamide
MOLECULAR FORMULA: C27H31ClN4O3
MOLECULAR WEIGHT: 495.01304
SMILES: CCCCN(CC(=O)N1CCCCC1C2=NC(=NO2)C3=CC(=CC=C3)Cl)C(=O)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 8-methyl-N-phenyl-6-[3-(p-tolylcarbamoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CAS Name: 8-methyl-6-[3-[[(4-methylanilino)-oxomethyl]amino]phenyl]-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
IUPAC NAME: 8-methyl-6-[3-[(4-methylphenyl)carbamoylamino]phenyl]-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SYSTEMATIC NAME: 8-methyl-6-[3-[(4-methylphenyl)carbamoylamino]phenyl]-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
MOLECULAR FORMULA: C29H29N5O2S
MOLECULAR WEIGHT: 511.63786
SMILES: CC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3C(=C(N=C4N3CCCS4)C)C(=O)NC5=CC=CC=C5
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Product OPENEYE NAME: N-(2-methoxyethyl)-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]octanamide
CAS Name: N-(2-methoxyethyl)-N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]octanamide
IUPAC NAME: N-(2-methoxyethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
SYSTEMATIC NAME: N-(2-methoxyethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]octanamide
MOLECULAR FORMULA: C17H29N3O3S
MOLECULAR WEIGHT: 355.49546
SMILES: CCCCCCCC(=O)N(CCOC)CC(=O)NC1=NC=C(S1)C
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Product OPENEYE NAME: 2,4-dichloro-N-isopropyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]benzamide
CAS Name: 2,4-dichloro-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
IUPAC NAME: 2,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C16H17Cl2N3O3
MOLECULAR WEIGHT: 370.23048
SMILES: CC1=CC(=NO1)NC(=O)CN(C(C)C)C(=O)C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-(5-methylisoxazol-3-yl)-2-[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[oxo-[2-(trifluoromethyl)anilino]methyl]-propylamino]acetamide
IUPAC NAME: N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SYSTEMATIC NAME: N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]ethanamide
MOLECULAR FORMULA: C17H19F3N4O3
MOLECULAR WEIGHT: 384.35297
SMILES: CCCN(CC(=O)NC1=NOC(=C1)C)C(=O)NC2=CC=CC=C2C(F)(F)F
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Product OPENEYE NAME: N-isopentyl-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]propanamide
CAS Name: N-(3-methylbutyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]propanamide
IUPAC NAME: N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
SYSTEMATIC NAME: N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]propanamide
MOLECULAR FORMULA: C14H23N3O2S
MOLECULAR WEIGHT: 297.41632
SMILES: CCC(=O)N(CCC(C)C)CC(=O)NC1=NC(=CS1)C
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Product OPENEYE NAME: 2-[[2-[2-methoxyethyl-(2-phenoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CAS Name: 2-[[2-[2-methoxyethyl-(1-oxo-2-phenoxyethyl)amino]-1-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
IUPAC NAME: 2-[[2-[2-methoxyethyl-(2-phenoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[2-[2-methoxyethyl(2-phenoxyethanoyl)amino]ethanoylamino]-N-(4-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C22H27N3O6
MOLECULAR WEIGHT: 429.46628
SMILES: COCCN(CC(=O)NCC(=O)NC1=CC=C(C=C1)OC)C(=O)COC2=CC=CC=C2
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