Wednesday, June 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[(E)-2-benzylsulfanylvinyl]-2-(4-bromophenyl)-5-(4-chlorophenyl)triazole
CAS Name: 2-(4-bromophenyl)-4-(4-chlorophenyl)-5-[(E)-2-(phenylmethylthio)ethenyl]triazole
IUPAC NAME: 4-[(E)-2-benzylsulfanylethenyl]-2-(4-bromophenyl)-5-(4-chlorophenyl)triazole
SYSTEMATIC NAME: 2-(4-bromophenyl)-4-(4-chlorophenyl)-5-[(E)-2-(phenylmethylsulfanyl)ethenyl]-1,2,3-triazole
MOLECULAR FORMULA: C23H17BrClN3S
MOLECULAR WEIGHT: 482.82318
SMILES: C1=CC=C(C=C1)CS/C=C/C2=NN(N=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: (4-chlorophenyl)-pyridazin-3-yl-methanone
CAS Name: (4-chlorophenyl)-(3-pyridazinyl)methanone
IUPAC NAME: (4-chlorophenyl)-pyridazin-3-ylmethanone
SYSTEMATIC NAME: (4-chlorophenyl)-pyridazin-3-yl-methanone
MOLECULAR FORMULA: C11H7ClN2O
MOLECULAR WEIGHT: 218.63908
SMILES: C1=CC(=NN=C1)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (4-chlorophenyl)-(6-chloropyridazin-3-yl)methanone
CAS Name: (4-chlorophenyl)-(6-chloro-3-pyridazinyl)methanone
IUPAC NAME: (4-chlorophenyl)-(6-chloropyridazin-3-yl)methanone
SYSTEMATIC NAME: (6-chloranylpyridazin-3-yl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C11H6Cl2N2O
MOLECULAR WEIGHT: 253.08414
SMILES: C1=CC(=CC=C1C(=O)C2=NN=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 4-bromo-N-[(Z)-[(4-chlorophenyl)-pyridazin-3-yl-methylene]amino]aniline
CAS Name: 4-bromo-N-[(Z)-[(4-chlorophenyl)-(3-pyridazinyl)methylidene]amino]aniline
IUPAC NAME: 4-bromo-N-[(Z)-[(4-chlorophenyl)-pyridazin-3-ylmethylidene]amino]aniline
SYSTEMATIC NAME: 4-bromanyl-N-[(Z)-[(4-chlorophenyl)-pyridazin-3-yl-methylidene]amino]aniline
MOLECULAR FORMULA: C17H12BrClN4
MOLECULAR WEIGHT: 387.66098
SMILES: C1=CC(=NN=C1)/C(=N\NC2=CC=C(C=C2)Br)/C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-bromo-N-[(Z)-[(4-chlorophenyl)-(6-chloropyridazin-3-yl)methylene]amino]aniline
CAS Name: 4-bromo-N-[(Z)-[(4-chlorophenyl)-(6-chloro-3-pyridazinyl)methylidene]amino]aniline
IUPAC NAME: 4-bromo-N-[(Z)-[(4-chlorophenyl)-(6-chloropyridazin-3-yl)methylidene]amino]aniline
SYSTEMATIC NAME: 4-bromanyl-N-[(Z)-[(6-chloranylpyridazin-3-yl)-(4-chlorophenyl)methylidene]amino]aniline
MOLECULAR FORMULA: C17H11BrCl2N4
MOLECULAR WEIGHT: 422.10604
SMILES: C1=CC(=CC=C1/C(=N/NC2=CC=C(C=C2)Br)/C3=NN=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-b]pyridazin-8-ium
CAS Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-b]pyridazin-8-ium
IUPAC NAME: 1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-b]pyridazin-8-ium
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-(4-chlorophenyl)-[1,2,3]triazolo[1,5-b]pyridazin-8-ium
MOLECULAR FORMULA: C17H11BrClN4+
MOLECULAR WEIGHT: 386.65304
SMILES: C1=CC2=[N+](N=C1)N(N=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: 1-(4-bromophenyl)-6-chloro-3-(4-chlorophenyl)triazolo[1,5-b]pyridazin-8-ium
CAS Name: 1-(4-bromophenyl)-6-chloro-3-(4-chlorophenyl)triazolo[1,5-b]pyridazin-8-ium
IUPAC NAME: 1-(4-bromophenyl)-6-chloro-3-(4-chlorophenyl)triazolo[1,5-b]pyridazin-8-ium
SYSTEMATIC NAME: 1-(4-bromophenyl)-6-chloranyl-3-(4-chlorophenyl)-[1,2,3]triazolo[1,5-b]pyridazin-8-ium
MOLECULAR FORMULA: C17H10BrCl2N4+
MOLECULAR WEIGHT: 421.0981
SMILES: C1=CC(=CC=C1C2=NN([N+]3=C2C=CC(=N3)Cl)C4=CC=C(C=C4)Br)Cl
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Product OPENEYE NAME: 4-[1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-b]pyridazin-8-ium-6-yl]morpholine
CAS Name: 4-[1-(4-bromophenyl)-3-(4-chlorophenyl)-6-triazolo[1,5-b]pyridazin-8-iumyl]morpholine
IUPAC NAME: 4-[1-(4-bromophenyl)-3-(4-chlorophenyl)triazolo[1,5-b]pyridazin-8-ium-6-yl]morpholine
SYSTEMATIC NAME: 4-[1-(4-bromophenyl)-3-(4-chlorophenyl)-[1,2,3]triazolo[1,5-b]pyridazin-8-ium-6-yl]morpholine
MOLECULAR FORMULA: C21H18BrClN5O+
MOLECULAR WEIGHT: 471.75752
SMILES: C1COCCN1C2=N[N+]3=C(C=C2)C(=NN3C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: 3-[2-(4-bromophenyl)-5-methyl-triazol-4-yl]-2-morpholino-propanenitrile
CAS Name: 3-[2-(4-bromophenyl)-5-methyl-4-triazolyl]-2-(4-morpholinyl)propanenitrile
IUPAC NAME: 3-[2-(4-bromophenyl)-5-methyltriazol-4-yl]-2-morpholin-4-ylpropanenitrile
SYSTEMATIC NAME: 3-[2-(4-bromophenyl)-5-methyl-1,2,3-triazol-4-yl]-2-morpholin-4-yl-propanenitrile
MOLECULAR FORMULA: C16H18BrN5O
MOLECULAR WEIGHT: 376.25102
SMILES: CC1=NN(N=C1CC(C#N)N2CCOCC2)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 3-[2-(4-bromophenyl)-5-(4-chlorophenyl)triazol-4-yl]-2-morpholino-propanenitrile
CAS Name: 3-[2-(4-bromophenyl)-5-(4-chlorophenyl)-4-triazolyl]-2-(4-morpholinyl)propanenitrile
IUPAC NAME: 3-[2-(4-bromophenyl)-5-(4-chlorophenyl)triazol-4-yl]-2-morpholin-4-ylpropanenitrile
SYSTEMATIC NAME: 3-[2-(4-bromophenyl)-5-(4-chlorophenyl)-1,2,3-triazol-4-yl]-2-morpholin-4-yl-propanenitrile
MOLECULAR FORMULA: C21H19BrClN5O
MOLECULAR WEIGHT: 472.76546
SMILES: C1COCCN1C(CC2=NN(N=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br)C#N
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Product OPENEYE NAME: diethyl-(6-methoxy-2-naphthyl)alumane
CAS Name: diethyl-(6-methoxy-2-naphthalenyl)alumane
IUPAC NAME: diethyl-(6-methoxynaphthalen-2-yl)alumane
SYSTEMATIC NAME: diethyl-(6-methoxynaphthalen-2-yl)alumane
MOLECULAR FORMULA: C15H19AlO
MOLECULAR WEIGHT: 242.292298
SMILES: CC[Al](CC)C1=CC2=C(C=C1)C=C(C=C2)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: COC1=CC2=C(C=C1)[C@@H]3C[C@H]4[C@H](CCN4)C(=O)N3CC2
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Product OPENEYE NAME:
CAS Name:
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MOLECULAR FORMULA: C17H24N2O3S
MOLECULAR WEIGHT: 336.44906
SMILES: COC1=CC2=C(C=C1)[C@@H]3C[C@H]4[C@H](CCN4S(=O)(=O)C)CN3CC2
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Product OPENEYE NAME: N,N-diethyl-2-methyl-1H-pyrrole-3-carboxamide
CAS Name: N,N-diethyl-2-methyl-1H-pyrrole-3-carboxamide
IUPAC NAME: N,N-diethyl-2-methyl-1H-pyrrole-3-carboxamide
SYSTEMATIC NAME: N,N-diethyl-2-methyl-1H-pyrrole-3-carboxamide
MOLECULAR FORMULA: C10H16N2O
MOLECULAR WEIGHT: 180.24684
SMILES: CCN(CC)C(=O)C1=C(NC=C1)C
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Product OPENEYE NAME: tert-butyl 3-(diethylcarbamoyl)-2-methyl-pyrrole-1-carboxylate
CAS Name: 3-[diethylamino(oxo)methyl]-2-methyl-1-pyrrolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 3-(diethylcarbamoyl)-2-methylpyrrole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(diethylcarbamoyl)-2-methyl-pyrrole-1-carboxylate
MOLECULAR FORMULA: C15H24N2O3
MOLECULAR WEIGHT: 280.36266
SMILES: CCN(CC)C(=O)C1=C(N(C=C1)C(=O)OC(C)(C)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: CC(C)(C)OC(=O)N1C=CC2=C1CC3C4=C(CCN3C2=O)C=C(C=C4)OC
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Product OPENEYE NAME: tert-butyl 2-(2-tert-butoxy-2-oxo-ethyl)-3-(diethylcarbamoyl)pyrrole-1-carboxylate
CAS Name: 3-[diethylamino(oxo)methyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1-pyrrolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 3-(diethylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(diethylcarbamoyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]pyrrole-1-carboxylate
MOLECULAR FORMULA: C20H32N2O5
MOLECULAR WEIGHT: 380.47848
SMILES: CCN(CC)C(=O)C1=C(N(C=C1)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2=O)C=C(C=C4)OC
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Product OPENEYE NAME: 5-(2-bromoacetyl)-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CAS Name: 5-(2-bromo-1-oxoethyl)-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
IUPAC NAME: 5-(2-bromoacetyl)-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SYSTEMATIC NAME: 5-(2-bromanylethanoyl)-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
MOLECULAR FORMULA: C12H13BrN2O2
MOLECULAR WEIGHT: 297.14782
SMILES: CC1CN(C2=CC=CC=C2NC1=O)C(=O)CBr
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Product OPENEYE NAME: 1-(2-bromoacetyl)-7-chloro-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CAS Name: 1-(2-bromo-1-oxoethyl)-7-chloro-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
IUPAC NAME: 1-(2-bromoacetyl)-7-chloro-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 1-(2-bromanylethanoyl)-7-chloranyl-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C12H12BrClN2O2
MOLECULAR WEIGHT: 331.59288
SMILES: CC1CC(=O)NC2=C(N1C(=O)CBr)C=CC(=C2)Cl
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Product OPENEYE NAME: 5-[2-[4-(diethylaminomethyl)-1-piperidyl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CAS Name: 5-[2-[4-(diethylaminomethyl)-1-piperidinyl]-1-oxoethyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
IUPAC NAME: 5-[2-[4-(diethylaminomethyl)piperidin-1-yl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SYSTEMATIC NAME: 5-[2-[4-(diethylaminomethyl)piperidin-1-yl]ethanoyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
MOLECULAR FORMULA: C22H34N4O2
MOLECULAR WEIGHT: 386.53096
SMILES: CCN(CC)CC1CCN(CC1)CC(=O)N2CC(C(=O)NC3=CC=CC=C32)C
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Product OPENEYE NAME: 7-chloro-1-[2-[4-[4-(dimethylamino)butyl]-1-piperidyl]acetyl]-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CAS Name: 7-chloro-1-[2-[4-[4-(dimethylamino)butyl]-1-piperidinyl]-1-oxoethyl]-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
IUPAC NAME: 7-chloro-1-[2-[4-[4-(dimethylamino)butyl]piperidin-1-yl]acetyl]-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 7-chloranyl-1-[2-[4-[4-(dimethylamino)butyl]piperidin-1-yl]ethanoyl]-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C23H35ClN4O2
MOLECULAR WEIGHT: 435.0026
SMILES: CC1CC(=O)NC2=C(N1C(=O)CN3CCC(CC3)CCCCN(C)C)C=CC(=C2)Cl
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