Wednesday, January 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(2,5-dichlorophenyl)-3-(dimethylamino)urea
CAS Name: 1-(2,5-dichlorophenyl)-3-(dimethylamino)urea
IUPAC NAME: 1-(2,5-dichlorophenyl)-3-(dimethylamino)urea
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]-3-(dimethylamino)urea
MOLECULAR FORMULA: C9H11Cl2N3O
MOLECULAR WEIGHT: 248.10914
SMILES: CN(C)NC(=O)NC1=C(C=CC(=C1)Cl)Cl
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Product OPENEYE NAME: 8-(2,4-dichloroanilino)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6-(4-hydroxy-1-naphthyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 8-(2,4-dichloroanilino)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-(4-hydroxy-1-naphthalenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 8-(2,4-dichloroanilino)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6-(4-hydroxynaphthalen-1-yl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-[(2,4-dichlorophenyl)amino]-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6a-(4-methoxyphenyl)-6-(4-oxidanylnaphthalen-1-yl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C45H36Cl2N6O10
MOLECULAR WEIGHT: 891.70754
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=CC=C(C7=CC=CC=C67)O)C8=CC=C(C=C8)OC)NC9=C(C=C(C=C9)Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[8-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-(2-hydroxy-4-methoxy-phenyl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]propanoic acid
CAS Name: 3-[8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]propanoic acid
IUPAC NAME: 3-[8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[8-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-(4-methoxy-2-oxidanyl-phenyl)-6a-methyl-1,3,7,9-tetrakis(oxidanylidene)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]propanoic acid
MOLECULAR FORMULA: C38H35ClN4O8S
MOLECULAR WEIGHT: 743.2245
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC6C7C(CC=C6C(C5(C4=O)C)C8=C(C=C(C=C8)OC)O)C(=O)N(C7=O)CCC(=O)O)C
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Product OPENEYE NAME: [3-[6-(2-hydroxy-3-methyl-phenyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]phenyl]boronic acid
CAS Name: [3-[6-(2-hydroxy-3-methylphenyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]phenyl]boronic acid
IUPAC NAME: [3-[6-(2-hydroxy-3-methylphenyl)-6a-methyl-1,3,7,9-tetraoxo-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]phenyl]boronic acid
SYSTEMATIC NAME: [3-[6a-methyl-6-(3-methyl-2-oxidanyl-phenyl)-1,3,7,9-tetrakis(oxidanylidene)-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]phenyl]boronic acid
MOLECULAR FORMULA: C34H31BN2O7
MOLECULAR WEIGHT: 590.43014
SMILES: B(C1=CC(=CC=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=C(C(=CC=C6)C)O)C)C7=CC=CC=C7)(O)O
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Product OPENEYE NAME: 8-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-(3-hydroxyphenyl)-6a-methyl-2-propyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]-6-(3-hydroxyphenyl)-6a-methyl-2-propyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(3-hydroxyphenyl)-6a-methyl-2-propyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-(3-hydroxyphenyl)-6a-methyl-2-propyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C37H35ClN4O5S
MOLECULAR WEIGHT: 683.2156
SMILES: CCCN1C(=O)C2CC=C3C(C2C1=O)CC4C(=O)N(C(=O)C4(C3C5=CC(=CC=C5)O)C)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C
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Product OPENEYE NAME: 6-(4-hydroxy-3,5-dimethyl-phenyl)-6a-methyl-8-phenyl-2-(4-vinylphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-(4-ethenylphenyl)-6-(4-hydroxy-3,5-dimethylphenyl)-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-(4-ethenylphenyl)-6-(4-hydroxy-3,5-dimethylphenyl)-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(4-ethenylphenyl)-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C37H34N2O5
MOLECULAR WEIGHT: 586.67626
SMILES: CC1=CC(=CC(=C1O)C)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)C7=CC=C(C=C7)C=C
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Product OPENEYE NAME: 8-(3-chloro-4-fluoro-phenyl)-6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-(4-chlorophenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 8-(3-chloro-4-fluorophenyl)-6-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(4-chlorophenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 8-(3-chloro-4-fluorophenyl)-6-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(4-chlorophenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-chlorophenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C34H26Cl3FN2O6
MOLECULAR WEIGHT: 683.937443
SMILES: CC12C(CC3C4C(CC=C3C1C5=CC(=C(C(=C5)Cl)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)Cl)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
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Product OPENEYE NAME: 8-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-[2-(4-hydroxy-3-methoxy-phenyl)vinyl]-2-[2-(4-hydroxyphenyl)ethyl]-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-[2-(4-hydroxyphenyl)ethyl]-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-[2-(4-hydroxyphenyl)ethyl]-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-2-[2-(4-hydroxyphenyl)ethyl]-6-[2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C45H41ClN4O7S
MOLECULAR WEIGHT: 817.34764
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC6C7C(CC=C6C(C5(C4=O)C)C=CC8=CC(=C(C=C8)O)OC)C(=O)N(C7=O)CCC9=CC=C(C=C9)O)C
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Product OPENEYE NAME: 2-(1-benzyl-4-piperidyl)-6-(1-hydroxy-2-naphthyl)-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6-(1-hydroxy-2-naphthalenyl)-6a-methyl-8-phenyl-2-[1-(phenylmethyl)-4-piperidinyl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-(1-benzylpiperidin-4-yl)-6-(1-hydroxynaphthalen-2-yl)-6a-methyl-8-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a-methyl-6-(1-oxidanylnaphthalen-2-yl)-8-phenyl-2-[1-(phenylmethyl)piperidin-4-yl]-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C43H41N3O5
MOLECULAR WEIGHT: 679.80274
SMILES: CC12C(CC3C4C(CC=C3C1C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)C7CCN(CC7)CC8=CC=CC=C8)C(=O)N(C2=O)C9=CC=CC=C9
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Product OPENEYE NAME: 2-(4-anilinophenyl)-6-(5-chloro-2-hydroxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
CAS Name: 2-(4-anilinophenyl)-6-(5-chloro-2-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC NAME: 2-(4-anilinophenyl)-6-(5-chloro-2-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 6-(5-chloranyl-2-oxidanyl-phenyl)-6a,9-diphenyl-2-(4-phenylazanylphenyl)-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C46H35ClN2O5
MOLECULAR WEIGHT: 731.2335
SMILES: C1C=C2C(CC3C(=O)C(=CC(=O)C3(C2C4=C(C=CC(=C4)Cl)O)C5=CC=CC=C5)C6=CC=CC=C6)C7C1C(=O)N(C7=O)C8=CC=C(C=C8)NC9=CC=CC=C9
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Product OPENEYE NAME: 1-methyl-4-(3-thienyl)-6-[2-(2-thienyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CAS Name: 1-methyl-4-(3-thiophenyl)-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
IUPAC NAME: 1-methyl-4-thiophen-3-yl-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SYSTEMATIC NAME: 1-methyl-4-thiophen-3-yl-6-(2-thiophen-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
MOLECULAR FORMULA: C17H17N3O2S2
MOLECULAR WEIGHT: 359.46578
SMILES: CN1C2=C(C(NC1=O)C3=CSC=C3)C(=O)N(C2)CCC4=CC=CS4
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]quinoline-3-carboxamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-3-quinolinecarboxamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]quinoline-3-carboxamide
MOLECULAR FORMULA: C23H19ClN4O3
MOLECULAR WEIGHT: 434.87496
SMILES: CN1C=C(C(=N1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5N=C4)Cl
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-[styrylsulfonyl(tetrahydrofuran-2-ylmethyl)amino]-N-(2-thienylmethyl)acetamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-oxolanylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-[oxolan-2-ylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-[oxolan-2-ylmethyl(2-phenylethenylsulfonyl)amino]-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C28H30N2O6S2
MOLECULAR WEIGHT: 554.6776
SMILES: C1CC(OC1)CN(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)S(=O)(=O)C=CC5=CC=CC=C5
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Product OPENEYE NAME: N-benzyl-2-[(4-fluorophenyl)sulfonyl-sec-butyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: 2-[butan-2-yl-(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[butan-2-yl-(4-fluorophenyl)sulfonylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[butan-2-yl-(4-fluorophenyl)sulfonyl-amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C25H29FN2O3S2
MOLECULAR WEIGHT: 488.637763
SMILES: CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)S(=O)(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (4-bromophenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone
CAS Name: (4-bromophenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]methanone
IUPAC NAME: (4-bromophenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone
SYSTEMATIC NAME: (4-bromophenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C25H27BrN4O2
MOLECULAR WEIGHT: 495.41148
SMILES: CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)OC
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