Wednesday, December 28, 2011

http://ChemLookup.com Compounds




CAS RN: 6465-36-7
CAS Name: 2-furancarboxylic acid [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] ester
OPENEYE Name: [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylene]amino] furan-2-carboxylate
IUPAC Name: [[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] furan-2-carboxylate
SYSTEMATIC NAME: [[azanyl-(4-azanyl-1,2,5-oxadiazol-3-yl)methylidene]amino] furan-2-carboxylate
MOLECULAR FORMULA: C8H7N5O4
MOLECULAR WEIGHT: 237.17228
SMILES: C1=COC(=C1)C(=O)ON=C(C2=NON=C2N)N
Structure:

CAS RN: 5122-91-8
CAS Name: 1-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C18H16Cl2FNO2
MOLECULAR WEIGHT: 368.229543
SMILES: C1CC(N(C1)C(C2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl)C(=O)O
Structure:

CAS RN: 5225-20-7
CAS Name: 2-[[[8-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]-oxomethyl]amino]-3-methylbutanoic acid me
OPENEYE Name: methyl 2-[[8-(1,3-benzothiazol-2-ylcarbamoyl)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carbonyl]amino]-3-methyl-butanoate
IUPAC Name: methyl 2-[[8-(1,3-benzothiazol-2-ylcarbamoyl)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carbonyl]amino]-3-methylbutanoate
SYSTEMATIC NAME: methyl 2-[[8-(1,3-benzothiazol-2-ylcarbamoyl)-6-[4-(2-hydroxyethyloxy)phenyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-yl]carbonylamino]-3-methyl-but
MOLECULAR FORMULA: C58H57N5O10S
MOLECULAR WEIGHT: 1016.16568
SMILES: CC(C)C(C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)C4(C1=O)C(C5C(=O)OC(C(N5C4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9
Structure:

CAS RN: 33782-14-8
CAS Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-sulfanylidene-1,2,4-triazin-3-one
OPENEYE Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-thioxo-1,2,4-triazin-3-one
IUPAC Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,2,4-triazin-3-one
SYSTEMATIC NAME: 2-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-sulfanylidene-1,2,4-triazin-3-one
MOLECULAR FORMULA: C8H11N3O5S
MOLECULAR WEIGHT: 261.25504
SMILES: C1=NN(C(=O)NC1=S)C2C(C(C(O2)CO)O)O
Structure:

CAS RN: 5522-31-6
CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1H-indol-3-yl)propanamide
OPENEYE Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1H-indol-3-yl)propanamide
IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(1H-indol-3-yl)propanamide
SYSTEMATIC NAME: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1H-indol-3-yl)propanamide
MOLECULAR FORMULA: C22H24N4OS
MOLECULAR WEIGHT: 392.51716
SMILES: CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCC3=CNC4=CC=CC=C43
Structure:

CAS RN: 6061-74-1
CAS Name: 2-(4-bromophenyl)-6a,9a-dichloro-6-(4-hydroxy-2-methoxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 2-(4-bromophenyl)-6a,9a-dichloro-6-(4-hydroxy-2-methoxy-phenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 2-(4-bromophenyl)-6a,9a-dichloro-6-(4-hydroxy-2-methoxyphenyl)-8-(2,3,4,5,6-pentafluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-(4-bromophenyl)-6a,9a-bis(chloranyl)-6-(2-methoxy-4-oxidanyl-phenyl)-8-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C33H20BrCl2F5N2O6
MOLECULAR WEIGHT: 786.323716
SMILES: COC1=C(C=CC(=C1)O)C2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)Br
Structure:

CAS RN: 6178-30-9
CAS Name: 5-(1-adamantyl)-3-ethyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-(1-adamantyl)-3-ethyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-(1-adamantyl)-3-ethyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-(1-adamantyl)-3-ethyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C15H22N2OS
MOLECULAR WEIGHT: 278.41298
SMILES: CCN1C(=O)C(NC1=S)C23CC4CC(C2)CC(C4)C3
Structure:

CAS RN: 5606-70-2
CAS Name: N-(2-bromo-4-methylphenyl)-4-hexylbenzamide
OPENEYE Name: N-(2-bromo-4-methyl-phenyl)-4-hexyl-benzamide
IUPAC Name: N-(2-bromo-4-methylphenyl)-4-hexylbenzamide
SYSTEMATIC NAME: N-(2-bromanyl-4-methyl-phenyl)-4-hexyl-benzamide
MOLECULAR FORMULA: C20H24BrNO
MOLECULAR WEIGHT: 374.31466
SMILES: CCCCCCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C)Br
Structure:

CAS RN: 5809-96-1
CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
IUPAC Name: ethyl 3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
SYSTEMATIC NAME: ethyl 3-[(3-chlorophenyl)carbonylamino]-3-(3-nitrophenyl)propanoate
MOLECULAR FORMULA: C18H17ClN2O5
MOLECULAR WEIGHT: 376.79098
SMILES: CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)Cl
Structure:

CAS RN: 6483-66-5
CAS Name: 4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine
OPENEYE Name: 4-[5-(4-fluorophenyl)-3-pyridyl]-2-methyl-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine
IUPAC Name: 4-[5-(4-fluorophenyl)pyridin-3-yl]-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SYSTEMATIC NAME: 4-[5-(4-fluorophenyl)pyridin-3-yl]-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
MOLECULAR FORMULA: C25H23FN6
MOLECULAR WEIGHT: 426.488723
SMILES: CC1=NC(=CC(=N1)N2CCN(CC2)C3=CC=CC=N3)C4=CN=CC(=C4)C5=CC=C(C=C5)F
Structure:

CAS RN: 6218-68-4
CAS Name: N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
OPENEYE Name: N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenyl-benzamide
IUPAC Name: N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenyl-benzamide
MOLECULAR FORMULA: C24H18ClN3OS
MOLECULAR WEIGHT: 431.93722
SMILES: C1C2=C(N(N=C2CS1)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
Structure:

CAS RN: 6376-87-0
CAS Name: 3-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-phenyl-4-quinolinecarboxamide
OPENEYE Name: 3-methyl-2-phenyl-N-[4-(p-tolylsulfonylamino)phenyl]quinoline-4-carboxamide
IUPAC Name: 3-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-phenylquinoline-4-carboxamide
SYSTEMATIC NAME: 3-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-phenyl-quinoline-4-carboxamide
MOLECULAR FORMULA: C30H25N3O3S
MOLECULAR WEIGHT: 507.6028
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C
Structure:

CAS RN: 6488-39-7
CAS Name: N-[5-(5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinyl)-1,3,4-thiadiazol-2-yl]benzamide
OPENEYE Name: N-[5-(5-amino-4-oxo-3-phenyl-thieno[3,4-d]pyridazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
IUPAC Name: N-[5-(5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[5-(5-azanyl-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C21H14N6O2S2
MOLECULAR WEIGHT: 446.50486
SMILES: C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=NN(C(=O)C4=C(SC=C43)N)C5=CC=CC=C5
Structure:

CAS RN: 6243-28-3
CAS Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide
OPENEYE Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
IUPAC Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C20H21N3O5S2
MOLECULAR WEIGHT: 447.52784
SMILES: COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC
Structure:

CAS RN: 6646-97-5
CAS Name: 4-methoxybenzoic acid [2-methoxy-4-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester
OPENEYE Name: [2-methoxy-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazono]methyl]phenyl] 4-methoxybenzoate
IUPAC Name: [2-methoxy-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SYSTEMATIC NAME: [2-methoxy-4-[[2-(2-methoxyphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
MOLECULAR FORMULA: C25H24N2O7
MOLECULAR WEIGHT: 464.46726
SMILES: COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC=CC=C3OC)OC
Structure:

CAS RN: 6646-36-2
CAS Name: 3-(4,5-dimethyl-2-furanyl)-N-propan-2-yl-2-propenamide
OPENEYE Name: 3-(4,5-dimethyl-2-furyl)-N-isopropyl-prop-2-enamide
IUPAC Name: 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide
SYSTEMATIC NAME: 3-(4,5-dimethylfuran-2-yl)-N-propan-2-yl-prop-2-enamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1=C(OC(=C1)C=CC(=O)NC(C)C)C
Structure:

CAS RN: 6154-15-0
CAS Name: N-[2-(2-benzo[e][1,3]benzoxazolyl)phenyl]-4-chloro-3-nitrobenzamide
OPENEYE Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chloro-3-nitro-benzamide
IUPAC Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chloro-3-nitrobenzamide
SYSTEMATIC NAME: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chloranyl-3-nitro-benzamide
MOLECULAR FORMULA: C24H14ClN3O4
MOLECULAR WEIGHT: 443.83866
SMILES: C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC=CC=C4NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]
Structure:

CAS RN: 6413-78-1
CAS Name: N,N-dimethyl-4-[(4-phenylphenyl)iminomethyl]aniline
OPENEYE Name: N,N-dimethyl-4-[(4-phenylphenyl)iminomethyl]aniline
IUPAC Name: N,N-dimethyl-4-[(4-phenylphenyl)iminomethyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(4-phenylphenyl)iminomethyl]aniline
MOLECULAR FORMULA: C21H20N2
MOLECULAR WEIGHT: 300.3969
SMILES: CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CC=CC=C3
Structure:

CAS RN: 5067-03-8
CAS Name: 5-ethoxy-6-methoxy-1-(2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
OPENEYE Name: 5-ethoxy-6-methoxy-1-(2-pyridyl)-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: 5-ethoxy-6-methoxy-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
SYSTEMATIC NAME: 5-ethoxy-6-methoxy-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: CCOC1=C(C=CC2=C1CCNC2C3=CC=CC=N3)OC
Structure:

CAS RN: 6810-87-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H18Br2NO3-
MOLECULAR WEIGHT: 540.22332
SMILES: C1=CC=C(C=C1)CNC(=O)C2C(C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br)C(=O)[O-]
Structure:

CAS RN: 6810-86-2
CAS Name: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis[(2-methylphenyl)methylthio]-2-propenamide
OPENEYE Name: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis(o-tolylmethylsulfanyl)prop-2-enamide
IUPAC Name: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis[(2-methylphenyl)methylsulfanyl]prop-2-enamide
SYSTEMATIC NAME: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis[(2-methylphenyl)methylsulfanyl]prop-2-enamide
MOLECULAR FORMULA: C28H28N2OS2
MOLECULAR WEIGHT: 472.66472
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C(=C(SCC2=CC=CC=C2C)SCC3=CC=CC=C3C)C#N
Structure:

CAS RN: 5772-98-5
CAS Name: 1-(4-tert-butylphenyl)-3-benzo[f]quinolinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(4-tert-butylphenyl)benzo[f]quinoline-3-carboxylate
IUPAC Name: ethyl 1-(4-tert-butylphenyl)benzo[f]quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(4-tert-butylphenyl)benzo[f]quinoline-3-carboxylate
MOLECULAR FORMULA: C26H25NO2
MOLECULAR WEIGHT: 383.4822
SMILES: CCOC(=O)C1=NC2=C(C3=CC=CC=C3C=C2)C(=C1)C4=CC=C(C=C4)C(C)(C)C
Structure:

CAS RN: 5440-29-9
CAS Name: 2-[4-[[[3-(2-fluoroanilino)-2-methyl-1,3-dioxopropyl]hydrazinylidene]methyl]phenoxy]propanoic acid ethyl ester
OPENEYE Name: ethyl 2-[4-[[[3-(2-fluoroanilino)-2-methyl-3-oxo-propanoyl]hydrazono]methyl]phenoxy]propanoate
IUPAC Name: ethyl 2-[4-[[[3-(2-fluoroanilino)-2-methyl-3-oxopropanoyl]hydrazinylidene]methyl]phenoxy]propanoate
SYSTEMATIC NAME: ethyl 2-[4-[[[3-[(2-fluorophenyl)amino]-2-methyl-3-oxidanylidene-propanoyl]hydrazinylidene]methyl]phenoxy]propanoate
MOLECULAR FORMULA: C22H24FN3O5
MOLECULAR WEIGHT: 429.441463
SMILES: CCOC(=O)C(C)OC1=CC=C(C=C1)C=NNC(=O)C(C)C(=O)NC2=CC=CC=C2F
Structure:

CAS RN: 5438-46-0
CAS Name: 1-(4-ethylphenyl)-5-[(4-methoxy-1-naphthalenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 1-(4-ethylphenyl)-5-[(4-methoxy-1-naphthyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 1-(4-ethylphenyl)-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 1-(4-ethylphenyl)-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C24H20N2O3S
MOLECULAR WEIGHT: 416.4922
SMILES: CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C4=CC=CC=C34)OC)C(=O)NC2=S
Structure:

CAS RN: 6538-73-4
CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-2-(1,3,3-trimethyl-2-indolylidene)acetamide
OPENEYE Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-2-(1,3,3-trimethylindolin-2-ylidene)acetamide
IUPAC Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2-(1,3,3-trimethylindol-2-ylidene)acetamide
SYSTEMATIC NAME: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2-(1,3,3-trimethylindol-2-ylidene)ethanamide
MOLECULAR FORMULA: C25H30N2O
MOLECULAR WEIGHT: 374.5185
SMILES: CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C
Structure:

CAS RN: 6538-12-1
CAS Name: 2-phenyl-3-[2-(2-pyridinyl)ethoxy]-4-(1-pyrrolidinyl)-3-sulfanylidene-6,7-dihydro-5H-1,2,3$l^{5}-benzodiazaphosphole
OPENEYE Name: 2-phenyl-3-[2-(2-pyridyl)ethoxy]-4-pyrrolidin-1-yl-3-thioxo-6,7-dihydro-5H-1,2,3$l^{5}-benzodiazaphosphole
IUPAC Name: 2-phenyl-3-(2-pyridin-2-ylethoxy)-4-pyrrolidin-1-yl-3-sulfanylidene-6,7-dihydro-5H-1,2,3$l^{5}-benzodiazaphosphole
SYSTEMATIC NAME: 2-phenyl-3-(2-pyridin-2-ylethoxy)-4-pyrrolidin-1-yl-3-sulfanylidene-6,7-dihydro-5H-1,2,3$l^{5}-benzodiazaphosphole
MOLECULAR FORMULA: C23H27N4OPS
MOLECULAR WEIGHT: 438.525441
SMILES: C1CCN(C1)C2=C3C(=NN(P3(=S)OCCC4=CC=CC=N4)C5=CC=CC=C5)CCC2
Structure:

CAS RN: 6499-24-7
CAS Name: 2-(4-chlorophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
OPENEYE Name: 2-(4-chlorophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
IUPAC Name: 2-(4-chlorophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
MOLECULAR FORMULA: C12H10ClNO3
MOLECULAR WEIGHT: 251.6657
SMILES: CC1=C(N=C(OC1=O)C2=CC=C(C=C2)Cl)OC
Structure:

CAS RN: 5543-54-4
CAS Name: 3-(1-benzimidazolyl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-(benzimidazol-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
IUPAC Name: 3-(benzimidazol-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-(benzimidazol-1-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C18H15N3O3
MOLECULAR WEIGHT: 321.33
SMILES: COC1=CC=CC(=C1)N2C(=O)CC(C2=O)N3C=NC4=CC=CC=C43
Structure:

CAS RN: 6236-54-0
CAS Name: 5-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
IUPAC Name: ethyl 5-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 5-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C31H28N4O7S
MOLECULAR WEIGHT: 600.64162
SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)N=C(N2)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5
Structure:

CAS RN: 6234-08-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H30N4O4
MOLECULAR WEIGHT: 534.605
SMILES: CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC=C(C=C4)C(C)(C)C)CC5=CC=CC=C5
Structure:

CAS RN: 5768-08-1
CAS Name: 3-[[(3-bromophenyl)-oxomethyl]amino]-3-(4-ethoxyphenyl)propanoic acid
OPENEYE Name: 3-[(3-bromobenzoyl)amino]-3-(4-ethoxyphenyl)propanoic acid
IUPAC Name: 3-[(3-bromobenzoyl)amino]-3-(4-ethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-[(3-bromophenyl)carbonylamino]-3-(4-ethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C18H18BrNO4
MOLECULAR WEIGHT: 392.24382
SMILES: CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)Br
Structure:

CAS RN: 5735-37-5
CAS Name: 2-(6-methyl-3-benzofuranyl)-N-(2-naphthalenyl)acetamide
OPENEYE Name: 2-(6-methylbenzofuran-3-yl)-N-(2-naphthyl)acetamide
IUPAC Name: 2-(6-methyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
SYSTEMATIC NAME: 2-(6-methyl-1-benzofuran-3-yl)-N-naphthalen-2-yl-ethanamide
MOLECULAR FORMULA: C21H17NO2
MOLECULAR WEIGHT: 315.36518
SMILES: CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC4=CC=CC=C4C=C3
Structure:

CAS RN: 6084-77-1
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[2-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]-1,3-dioxan-2-yl]anilino]-2-sulfanylideneethyl]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[2-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]methyl]-1,3-dioxan-2-yl]anilino]-2-thioxo-ethyl]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[2-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-2-sulfanylideneethyl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[2-[[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]amino]-2-sulfanylidene-ethyl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C46H54N4O13S
MOLECULAR WEIGHT: 903.00496
SMILES: CC(=O)OCC1C(C(C(C(O1)CC(=S)NC2=CC=CC(=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O)OC(=O)C)OC(=O)C)OC(=O)C
Structure:

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