Wednesday, December 28, 2011

http://ChemLookup.com Compounds




CAS RN: 5527-81-1
CAS Name: 4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitrobenzenesulfonamide
OPENEYE Name: 4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitro-benzenesulfonamide
IUPAC Name: 4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-[2-[bis(fluoranyl)methoxy]phenyl]-4-chloranyl-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C13H9ClF2N2O5S
MOLECULAR WEIGHT: 378.735766
SMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC(F)F
Structure:

CAS RN: 5990-62-5
CAS Name: 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(2-chlorophenyl)-1-[2-(1,2-dimethylpropylamino)-2-oxo-ethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
IUPAC Name: ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-(2-chlorophenyl)-6-methyl-1-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate
MOLECULAR FORMULA: C22H29ClN2O4
MOLECULAR WEIGHT: 420.92966
SMILES: CCOC(=O)C1=C(N(C(=O)CC1C2=CC=CC=C2Cl)CC(=O)NC(C)C(C)C)C
Structure:

CAS RN: 6078-24-6
CAS Name: 9-bromo-6-(2-hydroxy-4,6-dimethoxyphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
OPENEYE Name: 9-bromo-6-(2-hydroxy-4,6-dimethoxy-phenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC Name: 9-bromo-6-(2-hydroxy-4,6-dimethoxyphenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 9-bromanyl-6-(2,4-dimethoxy-6-oxidanyl-phenyl)-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C24H20BrNO7
MOLECULAR WEIGHT: 514.3221
SMILES: COC1=CC(=C(C(=C1)OC)C2C3=CCC4C(C3CC5=C2C(=O)C=C(C5=O)Br)C(=O)NC4=O)O
Structure:

CAS RN: 6623-38-7
CAS Name: 4-tert-butyl-2,6-bis[(2,4-dichlorophenyl)methylidene]-1-cyclohexanone
OPENEYE Name: 4-tert-butyl-2,6-bis[(2,4-dichlorophenyl)methylene]cyclohexanone
IUPAC Name: 4-tert-butyl-2,6-bis[(2,4-dichlorophenyl)methylidene]cyclohexan-1-one
SYSTEMATIC NAME: 4-tert-butyl-2,6-bis[(2,4-dichlorophenyl)methylidene]cyclohexan-1-one
MOLECULAR FORMULA: C24H22Cl4O
MOLECULAR WEIGHT: 468.24288
SMILES: CC(C)(C)C1CC(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)C1
Structure:

CAS RN: 4895-37-8
CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl 2-(azepane-1-carbonylamino)propanoate
IUPAC Name: methyl 2-(azepane-1-carbonylamino)propanoate
SYSTEMATIC NAME: methyl 2-(azepan-1-ylcarbonylamino)propanoate
MOLECULAR FORMULA: C11H20N2O3
MOLECULAR WEIGHT: 228.2881
SMILES: CC(C(=O)OC)NC(=O)N1CCCCCC1
Structure:

CAS RN: 6725-98-0
CAS Name: N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-pyridin-1-iumcarbohydrazide
OPENEYE Name: N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyridin-1-ium-4-carbohydrazide
IUPAC Name: N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyridin-1-ium-4-carbohydrazide
SYSTEMATIC NAME: N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyridin-1-ium-4-carbohydrazide
MOLECULAR FORMULA: C12H17N4O+
MOLECULAR WEIGHT: 233.28958
SMILES: C1CCC(=NCC1)NNC(=O)C2=CC=[NH+]C=C2
Structure:

CAS RN: 6725-97-9
CAS Name: 1-[2-(4-morpholin-4-iumyl)-2-(3-pyridinyl)ethyl]-3-phenylurea
OPENEYE Name: 1-[2-morpholin-4-ium-4-yl-2-(3-pyridyl)ethyl]-3-phenyl-urea
IUPAC Name: 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
SYSTEMATIC NAME: 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-yl-ethyl)-3-phenyl-urea
MOLECULAR FORMULA: C18H23N4O2+
MOLECULAR WEIGHT: 327.40082
SMILES: C1COCC[NH+]1C(CNC(=O)NC2=CC=CC=C2)C3=CN=CC=C3
Structure:

CAS RN: 5516-68-7
CAS Name: 3-[[2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-1-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
OPENEYE Name: 3-[[2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
IUPAC Name: 3-[[2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SYSTEMATIC NAME: 3-[2-[10-methyl-1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]ethanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
MOLECULAR FORMULA: C25H25F3N4O4
MOLECULAR WEIGHT: 502.48561
SMILES: CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
Structure:

CAS RN: 5516-07-4
CAS Name: 3-[(2-chlorophenyl)thio]-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]propanamide
OPENEYE Name: 3-(2-chlorophenyl)sulfanyl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]propanamide
IUPAC Name: 3-(2-chlorophenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
SYSTEMATIC NAME: 3-(2-chlorophenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide
MOLECULAR FORMULA: C21H25ClN2O3S2
MOLECULAR WEIGHT: 453.0178
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCSC3=CC=CC=C3Cl
Structure:

CAS RN: 5513-62-2
CAS Name: 6-[[(2-bromophenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-[[(2-bromophenyl)methyleneamino]-methyl-amino]-3-methyl-1H-pyrimidine-2,4-dione
IUPAC Name: 6-[[(2-bromophenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[[(2-bromophenyl)methylideneamino]-methyl-amino]-3-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H13BrN4O2
MOLECULAR WEIGHT: 337.17192
SMILES: CN1C(=O)C=C(NC1=O)N(C)N=CC2=CC=CC=C2Br
Structure:

CAS RN: 5509-33-1
CAS Name: 4-butyl-N-[(5-chloro-2-hexoxyphenyl)methylideneamino]benzamide
OPENEYE Name: 4-butyl-N-[(5-chloro-2-hexoxy-phenyl)methyleneamino]benzamide
IUPAC Name: 4-butyl-N-[(5-chloro-2-hexoxyphenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-butyl-N-[(5-chloranyl-2-hexoxy-phenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C24H31ClN2O2
MOLECULAR WEIGHT: 414.96814
SMILES: CCCCCCOC1=C(C=C(C=C1)Cl)C=NNC(=O)C2=CC=C(C=C2)CCCC
Structure:

CAS RN: 6647-17-2
CAS Name: 2-iodobenzoic acid [4-[[[2-(3-methylanilino)-1,2-dioxoethyl]hydrazinylidene]methyl]phenyl] ester
OPENEYE Name: [4-[[[2-(3-methylanilino)-2-oxo-acetyl]hydrazono]methyl]phenyl] 2-iodobenzoate
IUPAC Name: [4-[[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
SYSTEMATIC NAME: [4-[[[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] 2-iodanylbenzoate
MOLECULAR FORMULA: C23H18IN3O4
MOLECULAR WEIGHT: 527.31119
SMILES: CC1=CC(=CC=C1)NC(=O)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I
Structure:

CAS RN: 5761-59-1
CAS Name: N-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-phenylmethanimine
OPENEYE Name: N-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-methanimine
IUPAC Name: N-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-phenylmethanimine
SYSTEMATIC NAME: N-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-methanimine
MOLECULAR FORMULA: C12H12N4O2
MOLECULAR WEIGHT: 244.24928
SMILES: CC1=C(C(=NN1N=CC2=CC=CC=C2)C)[N+](=O)[O-]
Structure:

CAS RN: 5667-63-0
CAS Name: 4-(2-furanylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2,4-dichlorophenyl)methyl ester
OPENEYE Name: (2,4-dichlorophenyl)methyl 4-(2-furylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate
IUPAC Name: (2,4-dichlorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SYSTEMATIC NAME: (2,4-dichlorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MOLECULAR FORMULA: C26H19Cl2NO3
MOLECULAR WEIGHT: 464.33996
SMILES: C1CC(=CC2=CC=CO2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC5=C(C=C(C=C5)Cl)Cl
Structure:

CAS RN: 5662-72-6
CAS Name: 1-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
OPENEYE Name: 1-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-4-(p-tolylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
IUPAC Name: 1-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SYSTEMATIC NAME: 1-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
MOLECULAR FORMULA: C27H24N4O2S
MOLECULAR WEIGHT: 468.57006
SMILES: CCC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)C
Structure:

CAS RN: 5662-11-3
CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide
OPENEYE Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C20H19N5OS2
MOLECULAR WEIGHT: 409.52776
SMILES: C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NN=CN3C4=CC=CC=C4
Structure:

CAS RN: 5986-96-9
CAS Name: (4-ethyl-1-piperazinyl)-[5-(3-methoxyphenyl)-2-(3-methylphenyl)-3-pyrazolyl]methanone
OPENEYE Name: (4-ethylpiperazin-1-yl)-[5-(3-methoxyphenyl)-2-(m-tolyl)pyrazol-3-yl]methanone
IUPAC Name: (4-ethylpiperazin-1-yl)-[5-(3-methoxyphenyl)-2-(3-methylphenyl)pyrazol-3-yl]methanone
SYSTEMATIC NAME: (4-ethylpiperazin-1-yl)-[5-(3-methoxyphenyl)-2-(3-methylphenyl)pyrazol-3-yl]methanone
MOLECULAR FORMULA: C24H28N4O2
MOLECULAR WEIGHT: 404.50472
SMILES: CCN1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC(=C3)C)C4=CC(=CC=C4)OC
Structure:

CAS RN: 5994-97-8
CAS Name: 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-3-(4-nitrophenyl)-2-propen-1-one
OPENEYE Name: 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3-(4-nitrophenyl)prop-2-en-1-one
IUPAC Name: 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C22H19ClN4O4
MOLECULAR WEIGHT: 438.86366
SMILES: C1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NO3)C4=CC=C(C=C4)Cl
Structure:

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