Tuesday, December 27, 2011

http://ChemLookup.com Compounds




CAS RN: 6504-75-2
CAS Name: 1-(2-chlorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
OPENEYE Name: 1-(2-chlorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
IUPAC Name: 1-(2-chlorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-N-(1,2,4-triazol-1-yl)methanimine
MOLECULAR FORMULA: C9H7ClN4
MOLECULAR WEIGHT: 206.63168
SMILES: C1=CC=C(C(=C1)C=NN2C=NC=N2)Cl
Structure:

CAS RN: 6708-97-0
CAS Name: 1-[(4-methylphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium
OPENEYE Name: 1-[(2-nitrophenyl)methyl]-4-(p-tolylmethyl)piperazine-1,4-diium
IUPAC Name: 1-[(4-methylphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium
MOLECULAR FORMULA: C19H25N3O2+2
MOLECULAR WEIGHT: 327.4207
SMILES: CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]
Structure:

CAS RN: 6547-32-6
CAS Name: 3-pyridinecarboxylic acid [4-[2-cyano-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]ethenyl]phenyl] ester
OPENEYE Name: [4-[2-cyano-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)vinyl]phenyl] pyridine-3-carboxylate
IUPAC Name: [4-[2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethenyl]phenyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [4-[2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethenyl]phenyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C27H22N6O3
MOLECULAR WEIGHT: 478.50198
SMILES: C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=CC=C(C=C4)OC(=O)C5=CN=CC=C5)C#N
Structure:

CAS RN: 6797-73-5
CAS Name: N-(2,3-dimethylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
OPENEYE Name: N-(2,3-dimethylphenyl)-5-[ethyl(m-tolyl)sulfamoyl]-2-fluoro-benzamide
IUPAC Name: N-(2,3-dimethylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C24H25FN2O3S
MOLECULAR WEIGHT: 440.530303
SMILES: CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC=CC(=C3C)C
Structure:

CAS RN: 6704-98-9
CAS Name: 2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate
OPENEYE Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: 2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C15H12N3O3S-
MOLECULAR WEIGHT: 314.33908
SMILES: C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])C3=CC=CO3
Structure:

CAS RN: 6756-96-3
CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide
OPENEYE Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
IUPAC Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]ethanamide
MOLECULAR FORMULA: C29H30N5O3+
MOLECULAR WEIGHT: 496.5802
SMILES: C1CN(C2=NC3=CC=CC=C3C(=C21)NC(=O)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5)CC6=CC=CC=C6
Structure:

CAS RN: 6261-77-4
CAS Name: N-[[4-(2,3-dimethylphenyl)-5-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-(4-morpholinylsulfonyl)benzamide
OPENEYE Name: N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide
IUPAC Name: N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: N-[[4-(2,3-dimethylphenyl)-5-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C27H29N7O5S3
MOLECULAR WEIGHT: 627.75806
SMILES: CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C
Structure:

CAS RN: 6136-15-8
CAS Name: 4-[[6-[(4-ethoxyanilino)-oxomethyl]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino]benzoate
IUPAC Name: ethyl 4-[[6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[6-[(4-ethoxyphenyl)carbamoyl]-4-oxidanylidene-3-(2-phenylethyl)-1,3-thiazinan-2-ylidene]amino]benzoate
MOLECULAR FORMULA: C30H31N3O5S
MOLECULAR WEIGHT: 545.64924
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)CCC4=CC=CC=C4
Structure:

CAS RN: 6126-32-5
CAS Name: 2-[(2-hydroxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
OPENEYE Name: 2-[(2-hydroxyphenyl)methylene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
IUPAC Name: 2-[(2-hydroxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
SYSTEMATIC NAME: 2-[(2-hydroxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: C1CCC2=NC(=CC3=CC=CC=C3O)C(=O)N2CC1
Structure:

CAS RN: 6547-57-5
CAS Name: 3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]-2-(5-nitro-2-oxo-1H-indol-3-ylidene)-3-oxopropanenitrile
OPENEYE Name: 3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-(5-nitro-2-oxo-indolin-3-ylidene)-3-oxo-propanenitrile
IUPAC Name: 3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-(5-nitro-2-oxo-1H-indol-3-ylidene)-3-oxopropanenitrile
SYSTEMATIC NAME: 3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C24H15F3N4O4
MOLECULAR WEIGHT: 480.39551
SMILES: CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)C(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C#N
Structure:

CAS RN: 5180-79-0
CAS Name: 3-isocyanatobenzoyl chloride
OPENEYE Name: 3-isocyanatobenzoyl chloride
IUPAC Name: 3-isocyanatobenzoyl chloride
SYSTEMATIC NAME: 3-isocyanatobenzoyl chloride
MOLECULAR FORMULA: C8H4ClNO2
MOLECULAR WEIGHT: 181.57586
SMILES: C1=CC(=CC(=C1)N=C=O)C(=O)Cl
Structure:

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