Monday, December 26, 2011

http://ChemLookup.com Compounds




CAS RN: 5283-16-9
CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoic acid
IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C22H25N3O5
MOLECULAR WEIGHT: 411.451
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)O
Structure:

CAS RN: 5824-83-9
CAS Name: 2-butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
OPENEYE Name: 2-butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC Name: 2-butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanylidene-2-butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C26H28N4O3S
MOLECULAR WEIGHT: 476.59052
SMILES: CCCCC1=NN2C(=N)C(=CC3=CC=C(C=C3)OCCOC4=C(C=C(C=C4)C)C)C(=O)N=C2S1
Structure:

CAS RN: 5824-22-6
CAS Name: 2-[5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[5-[2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoate
IUPAC Name: methyl 2-[5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
SYSTEMATIC NAME: methyl 2-[5-[2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate
MOLECULAR FORMULA: C23H18N2O4
MOLECULAR WEIGHT: 386.40002
SMILES: CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)OC)C#N
Structure:

CAS RN: 5786-22-1
CAS Name: 2-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
OPENEYE Name: 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
IUPAC Name: 2-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C23H13BrF3N3O2S
MOLECULAR WEIGHT: 532.33243
SMILES: C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N
Structure:

CAS RN: 4710-06-9
CAS Name: N-[(4-chlorophenyl)methoxy]-1-(4-methylphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-imine
OPENEYE Name: N-[(4-chlorophenyl)methoxy]-2-phenyl-1-(p-tolyl)-6,7-dihydro-5H-indol-4-imine
IUPAC Name: N-[(4-chlorophenyl)methoxy]-1-(4-methylphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-imine
SYSTEMATIC NAME: N-[(4-chlorophenyl)methoxy]-1-(4-methylphenyl)-2-phenyl-6,7-dihydro-5H-indol-4-imine
MOLECULAR FORMULA: C28H25ClN2O
MOLECULAR WEIGHT: 440.9639
SMILES: CC1=CC=C(C=C1)N2C3=C(C=C2C4=CC=CC=C4)C(=NOCC5=CC=C(C=C5)Cl)CCC3
Structure:

CAS RN: 5404-17-1
CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyphenyl)imino-4-oxo-3-(2-oxolanylmethyl)-5-thiazolidinyl]acetamide
OPENEYE Name: N-(3-chloro-4-methoxy-phenyl)-2-[2-(2-ethoxyphenyl)imino-4-oxo-3-(tetrahydrofuran-2-ylmethyl)thiazolidin-5-yl]acetamide
IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[2-(2-ethoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methoxy-phenyl)-2-[2-(2-ethoxyphenyl)imino-4-oxidanylidene-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]ethanamide
MOLECULAR FORMULA: C25H28ClN3O5S
MOLECULAR WEIGHT: 518.02492
SMILES: CCOC1=CC=CC=C1N=C2N(C(=O)C(S2)CC(=O)NC3=CC(=C(C=C3)OC)Cl)CC4CCCO4
Structure:

CAS RN: 5311-89-7
CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-3-butoxybenzamide
OPENEYE Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]-3-butoxy-benzamide
IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-3-butoxybenzamide
SYSTEMATIC NAME: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-3-butoxy-benzamide
MOLECULAR FORMULA: C25H22BrN3O2S2
MOLECULAR WEIGHT: 540.49508
SMILES: CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3
Structure:

CAS RN: 5311-28-4
CAS Name: N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide
OPENEYE Name: N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide
IUPAC Name: N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide
SYSTEMATIC NAME: N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide
MOLECULAR FORMULA: C26H24N4O4
MOLECULAR WEIGHT: 456.49316
SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]
Structure:

CAS RN: 5627-88-3
CAS Name: 4-acetyl-N-[4-(4-chlorophenyl)-2-thiazolyl]benzamide
OPENEYE Name: 4-acetyl-N-[4-(4-chlorophenyl)thiazol-2-yl]benzamide
IUPAC Name: 4-acetyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-ethanoyl-benzamide
MOLECULAR FORMULA: C18H13ClN2O2S
MOLECULAR WEIGHT: 356.82602
SMILES: CC(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl
Structure:

CAS RN: 5627-27-0
CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(1-oxobut-2-enoxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-but-2-enoyloxyacetyl)amino]-4,5-dimethyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[(2-but-2-enoyloxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-but-2-enoyloxyethanoylamino)-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C15H19NO5S
MOLECULAR WEIGHT: 325.38006
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C=CC
Structure:

CAS RN: 5807-45-4
CAS Name: 2-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: propan-2-yl 2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-[2-(2-nitrophenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C20H22N2O6S
MOLECULAR WEIGHT: 418.46348
SMILES: CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]
Structure:

CAS RN: 5862-79-3
CAS Name: 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-hexanamine
OPENEYE Name: 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]hexan-1-amine
IUPAC Name: 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]hexan-1-amine
SYSTEMATIC NAME: 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]hexan-1-amine
MOLECULAR FORMULA: C18H27N3
MOLECULAR WEIGHT: 285.42708
SMILES: CCCCC(CC)CNCC1=C(NN=C1)C2=CC=CC=C2
Structure:

CAS RN: 4572-35-4
CAS Name: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
OPENEYE Name: 7-[(2-hydroxyphenyl)methyl-methyl-amino]-10-(isobutylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
IUPAC Name: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
SYSTEMATIC NAME: 7-[(2-hydroxyphenyl)methyl-methyl-amino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
MOLECULAR FORMULA: C31H38N2O5
MOLECULAR WEIGHT: 518.64382
SMILES: CC(C)CNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N(C)CC4=CC=CC=C4O
Structure:

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