Tuesday, February 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-(4-chlorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CAS Name: 3-[(4-chlorophenyl)thio]-N-[2-(1H-indol-3-yl)ethyl]propanamide
IUPAC NAME: 3-(4-chlorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
SYSTEMATIC NAME: 3-(4-chlorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
MOLECULAR FORMULA: C19H19ClN2OS
MOLECULAR WEIGHT: 358.88496
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCSC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: methyl 2-[[2-(3-ethylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[2-(3-ethylphenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[[2-(3-ethylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[2-(3-ethylphenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C21H25NO4S
MOLECULAR WEIGHT: 387.4925
SMILES: CCC1=CC(=CC=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC
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Product OPENEYE NAME: N-[6-(diisopropylsulfamoyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CAS Name: N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C21H23N3O5S2
MOLECULAR WEIGHT: 461.55442
SMILES: CC(C)N(C(C)C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: N-[6-(diallylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxy-benzamide
CAS Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
IUPAC NAME: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
SYSTEMATIC NAME: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,4,5-trimethoxy-benzamide
MOLECULAR FORMULA: C23H25N3O6S2
MOLECULAR WEIGHT: 503.5911
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N(CC=C)CC=C
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Product OPENEYE NAME: 2-methyl-N-[4-(3-nitrophenyl)thiazol-2-yl]quinoline-7-carboxamide
CAS Name: 2-methyl-N-[4-(3-nitrophenyl)-2-thiazolyl]-7-quinolinecarboxamide
IUPAC NAME: 2-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]quinoline-7-carboxamide
SYSTEMATIC NAME: 2-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]quinoline-7-carboxamide
MOLECULAR FORMULA: C20H14N4O3S
MOLECULAR WEIGHT: 390.41516
SMILES: CC1=NC2=C(C=C1)C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: trimethyl(1,1,5-trimethylhex-5-en-2-ynoxy)silane
CAS Name: 2,6-dimethylhept-6-en-3-yn-2-yloxy(trimethyl)silane
IUPAC NAME: 2,6-dimethylhept-6-en-3-yn-2-yloxy(trimethyl)silane
SYSTEMATIC NAME: 2,6-dimethylhept-6-en-3-yn-2-yloxy(trimethyl)silane
MOLECULAR FORMULA: C12H22OSi
MOLECULAR WEIGHT: 210.38798
SMILES: CC(=C)CC#CC(C)(C)O[Si](C)(C)C
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Product OPENEYE NAME: 6-hydroxy-5-methyl-2-(4-nitrophenyl)-1,3-oxazin-4-one
CAS Name: 6-hydroxy-5-methyl-2-(4-nitrophenyl)-1,3-oxazin-4-one
IUPAC NAME: 6-hydroxy-5-methyl-2-(4-nitrophenyl)-1,3-oxazin-4-one
SYSTEMATIC NAME: 5-methyl-2-(4-nitrophenyl)-6-oxidanyl-1,3-oxazin-4-one
MOLECULAR FORMULA: C11H8N2O5
MOLECULAR WEIGHT: 248.19162
SMILES: CC1=C(OC(=NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: [amino(methylsulfanyl)methylene]-(1-phenylethylideneamino)ammonium
CAS Name: [amino-(methylthio)methylidene]-(1-phenylethylideneamino)ammonium
IUPAC NAME: [amino(methylsulfanyl)methylidene]-(1-phenylethylideneamino)azanium
SYSTEMATIC NAME: [azanyl(methylsulfanyl)methylidene]-(1-phenylethylideneamino)azanium
MOLECULAR FORMULA: C10H14N3S+
MOLECULAR WEIGHT: 208.30326
SMILES: CC(=N[NH+]=C(N)SC)C1=CC=CC=C1
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Product OPENEYE NAME: [2-(1,3-benzoxazol-2-yl)-5-[(2-bromobenzoyl)amino]phenyl] 2-bromobenzoate
CAS Name: 2-bromobenzoic acid [2-(1,3-benzoxazol-2-yl)-5-[[(2-bromophenyl)-oxomethyl]amino]phenyl] ester
IUPAC NAME: [2-(1,3-benzoxazol-2-yl)-5-[(2-bromobenzoyl)amino]phenyl] 2-bromobenzoate
SYSTEMATIC NAME: [2-(1,3-benzoxazol-2-yl)-5-[(2-bromophenyl)carbonylamino]phenyl] 2-bromanylbenzoate
MOLECULAR FORMULA: C27H16Br2N2O4
MOLECULAR WEIGHT: 592.23494
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4O3)OC(=O)C5=CC=CC=C5Br)Br
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Product OPENEYE NAME: 2-(1-ethylpentyl)-1H-benzimidazole
CAS Name: 2-heptan-3-yl-1H-benzimidazole
IUPAC NAME: 2-heptan-3-yl-1H-benzimidazole
SYSTEMATIC NAME: 2-heptan-3-yl-1H-benzimidazole
MOLECULAR FORMULA: C14H20N2
MOLECULAR WEIGHT: 216.322
SMILES: CCCCC(CC)C1=NC2=CC=CC=C2N1
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Product OPENEYE NAME: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
CAS Name: 3-phenylpropanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
MOLECULAR FORMULA: C36H54O2
MOLECULAR WEIGHT: 518.81276
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC5=CC=CC=C5)C)C
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Product OPENEYE NAME: 7-chloro-3-ethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
CAS Name: 7-chloro-3-ethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
IUPAC NAME: 7-chloro-3-ethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SYSTEMATIC NAME: 7-chloranyl-3-ethyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
MOLECULAR FORMULA: C9H9ClN2O2
MOLECULAR WEIGHT: 212.63296
SMILES: CCC1C(=O)NC2=CC(=CN=C2O1)Cl
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Product OPENEYE NAME: 4-[3-[(3-fluorophenyl)methyleneamino]imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenol
CAS Name: 4-[3-[(3-fluorophenyl)methylideneamino]-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenol
IUPAC NAME: 4-[3-[(3-fluorophenyl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SYSTEMATIC NAME: 4-[3-[(3-fluorophenyl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenol
MOLECULAR FORMULA: C21H16FN3O2
MOLECULAR WEIGHT: 361.369043
SMILES: COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=CC(=CC=C4)F)O
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Product OPENEYE NAME: N,N-diallyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanamide
CAS Name: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-bis(prop-2-enyl)nonanamide
IUPAC NAME: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-bis(prop-2-enyl)nonanamide
SYSTEMATIC NAME: 9-chloranyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)-N,N-bis(prop-2-enyl)nonanamide
MOLECULAR FORMULA: C15H10ClF16NO
MOLECULAR WEIGHT: 559.673451
SMILES: C=CCN(CC=C)C(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: N,N-dibenzyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanamide
CAS Name: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-bis(phenylmethyl)nonanamide
IUPAC NAME: N,N-dibenzyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SYSTEMATIC NAME: 9-chloranyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)-N,N-bis(phenylmethyl)nonanamide
MOLECULAR FORMULA: C23H14ClF16NO
MOLECULAR WEIGHT: 659.790811
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 9-chloro-N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanamide
CAS Name: 9-chloro-N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
IUPAC NAME: 9-chloro-N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SYSTEMATIC NAME: 9-chloranyl-N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanamide
MOLECULAR FORMULA: C21H22ClF16NO
MOLECULAR WEIGHT: 643.832931
SMILES: C1CCC(CC1)N(C2CCCCC2)C(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 9-chloro-N-[2-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanoyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanamide
CAS Name: 9-chloro-N-[2-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-oxononyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
IUPAC NAME: 9-chloro-N-[2-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SYSTEMATIC NAME: 9-chloranyl-N-[2-[[9-chloranyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanoyl]amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanamide
MOLECULAR FORMULA: C21H8Cl2F32N2O2
MOLECULAR WEIGHT: 999.155322
SMILES: CC(CNC(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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