Tuesday, December 27, 2011

http://ChemLookup.com Compounds




CAS RN: 5952-87-4
CAS Name: N-[2-[cyclopropyl-[(1-methyl-2-pyrrolyl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(3-methoxypropyl)benzamide
OPENEYE Name: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-4-methoxy-N-(3-methoxypropyl)benzamide
IUPAC Name: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(3-methoxypropyl)benzamide
SYSTEMATIC NAME: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-methoxy-N-(3-methoxypropyl)benzamide
MOLECULAR FORMULA: C23H31N3O4
MOLECULAR WEIGHT: 413.50994
SMILES: CN1C=CC=C1CN(C2CC2)C(=O)CN(CCCOC)C(=O)C3=CC=C(C=C3)OC
Structure:

CAS RN: 6423-52-5
CAS Name: 4-phenyl-8-quinolinol
OPENEYE Name: 4-phenylquinolin-8-ol
IUPAC Name: 4-phenylquinolin-8-ol
SYSTEMATIC NAME: 4-phenylquinolin-8-ol
MOLECULAR FORMULA: C15H11NO
MOLECULAR WEIGHT: 221.25394
SMILES: C1=CC=C(C=C1)C2=C3C=CC=C(C3=NC=C2)O
Structure:

CAS RN: 6826-37-5
CAS Name: 3-ethyl-2-[[3-[(2-ethyl-1-isoquinolin-2-iumyl)methylidene]-5,5-dimethyl-1-cyclohexenyl]methylidene]-6-methyl-1,3-benzothiazole
OPENEYE Name: 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-6-methyl-1,3-benzothiazole
IUPAC Name: 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole
SYSTEMATIC NAME: 3-ethyl-2-[[3-[(2-ethylisoquinolin-2-ium-1-yl)methylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-6-methyl-1,3-benzothiazole
MOLECULAR FORMULA: C31H35N2S+
MOLECULAR WEIGHT: 467.688
SMILES: CCN1C2=C(C=C(C=C2)C)SC1=CC3=CC(=CC4=[N+](C=CC5=CC=CC=C54)CC)CC(C3)(C)C
Structure:

CAS RN: 6724-94-3
CAS Name: 2-(3-methylanilino)-N-(2-naphthalenylmethylideneamino)propanamide
OPENEYE Name: 2-(3-methylanilino)-N-(2-naphthylmethyleneamino)propanamide
IUPAC Name: 2-(3-methylanilino)-N-(naphthalen-2-ylmethylideneamino)propanamide
SYSTEMATIC NAME: 2-[(3-methylphenyl)amino]-N-(naphthalen-2-ylmethylideneamino)propanamide
MOLECULAR FORMULA: C21H21N3O
MOLECULAR WEIGHT: 331.41094
SMILES: CC1=CC(=CC=C1)NC(C)C(=O)NN=CC2=CC3=CC=CC=C3C=C2
Structure:

CAS RN: 6728-17-2
CAS Name: 2-[[[2-furanylmethyl-[(4-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]acetate
OPENEYE Name: 2-[[2-furylmethyl(p-tolylmethyl)carbamothioyl]amino]acetate
IUPAC Name: 2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]carbamothioyl]amino]acetate
SYSTEMATIC NAME: 2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]carbamothioyl]amino]ethanoate
MOLECULAR FORMULA: C16H17N2O3S-
MOLECULAR WEIGHT: 317.38278
SMILES: CC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)[O-]
Structure:

CAS RN: 5997-53-5
CAS Name: 4-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-2-oxoethyl]-N-methylbenzamide
OPENEYE Name: 4-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-oxo-ethyl]-N-methyl-benzamide
IUPAC Name: 4-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-benzamide
MOLECULAR FORMULA: C23H22Cl2N4O3
MOLECULAR WEIGHT: 473.35178
SMILES: CN(CC(=O)N1CCCCC1C2=NC(=NO2)C3=CC(=CC=C3)Cl)C(=O)C4=CC=C(C=C4)Cl
Structure:

CAS RN: 5923-87-5
CAS Name: 2,2-dichloro-N-[2-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]ethyl]acetamide
OPENEYE Name: 2,2-dichloro-N-[2-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylethyl]acetamide
IUPAC Name: 2,2-dichloro-N-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]acetamide
SYSTEMATIC NAME: 2,2-bis(chloranyl)-N-[2-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylethyl]ethanamide
MOLECULAR FORMULA: C22H23Cl2N3OS
MOLECULAR WEIGHT: 448.40852
SMILES: CCCN1C(=C(N=C1SCCNC(=O)C(Cl)Cl)C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 5923-26-2
CAS Name: 3-(4-ethylphenyl)-1-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-propan-2-ylurea
OPENEYE Name: 3-(4-ethylphenyl)-1-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxo-ethyl]-1-isopropyl-urea
IUPAC Name: 3-(4-ethylphenyl)-1-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-propan-2-ylurea
SYSTEMATIC NAME: 3-(4-ethylphenyl)-1-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxidanylidene-ethyl]-1-propan-2-yl-urea
MOLECULAR FORMULA: C27H31FN4O2
MOLECULAR WEIGHT: 462.559043
SMILES: CCC1=CC=C(C=C1)NC(=O)N(CC(=O)N2CCN3C=CC=C3C2C4=CC=C(C=C4)F)C(C)C
Structure:

CAS RN: 5960-72-5
CAS Name: 1-[1-[cyclopentyl(oxo)methyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
OPENEYE Name: 1-[1-(cyclopentanecarbonyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
IUPAC Name: 1-[1-(cyclopentanecarbonyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(1-cyclopentylcarbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl)-2-(4-methoxyphenyl)ethanone
MOLECULAR FORMULA: C22H30N2O3S
MOLECULAR WEIGHT: 402.5502
SMILES: COC1=CC=C(C=C1)CC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4CCCC4
Structure:

CAS RN: 93898-54-5
CAS Name: 4-nitro-1-oxido-2-(1-piperidinylmethyl)quinolin-1-ium
OPENEYE Name: 4-nitro-1-oxido-2-(1-piperidylmethyl)quinolin-1-ium
IUPAC Name: 4-nitro-1-oxido-2-(piperidin-1-ylmethyl)quinolin-1-ium
SYSTEMATIC NAME: 4-nitro-1-oxidanidyl-2-(piperidin-1-ylmethyl)quinolin-1-ium
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: C1CCN(CC1)CC2=[N+](C3=CC=CC=C3C(=C2)[N+](=O)[O-])[O-]
Structure:

CAS RN: 5947-62-6
CAS Name: 1-[[4-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-2-thiazolyl]methyl]-3-(2-ethylphenyl)-1-(2-methoxyethyl)urea
OPENEYE Name: 1-[[4-(4-benzhydrylpiperazine-1-carbonyl)thiazol-2-yl]methyl]-3-(2-ethylphenyl)-1-(2-methoxyethyl)urea
IUPAC Name: 1-[[4-(4-benzhydrylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-(2-ethylphenyl)-1-(2-methoxyethyl)urea
SYSTEMATIC NAME: 1-[[4-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]methyl]-3-(2-ethylphenyl)-1-(2-methoxyethyl)urea
MOLECULAR FORMULA: C34H39N5O3S
MOLECULAR WEIGHT: 597.77016
SMILES: CCC1=CC=CC=C1NC(=O)N(CCOC)CC2=NC(=CS2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
Structure:

CAS RN: 5947-01-3
CAS Name: 2-[butyl-(4-tert-butylphenyl)sulfonylamino]-N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexylacetamide
OPENEYE Name: 2-[butyl-(4-tert-butylphenyl)sulfonyl-amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-acetamide
IUPAC Name: 2-[butyl-(4-tert-butylphenyl)sulfonylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
SYSTEMATIC NAME: 2-[butyl-(4-tert-butylphenyl)sulfonyl-amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-ethanamide
MOLECULAR FORMULA: C34H46ClN3O3S
MOLECULAR WEIGHT: 612.26534
SMILES: CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C
Structure:

CAS RN: 5293-61-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N4OS2
MOLECULAR WEIGHT: 414.58734
SMILES: CCCSC1=NC(=C2C3=C(COC(C3)(C)CC)SC2=N1)NCC4=CC=CC=N4
Structure:

CAS RN: 5289-32-7
CAS Name: 2-(4-chlorophenoxy)-N-(1,1-dioxo-3-thiolanyl)-N-(2-furanylmethyl)acetamide
OPENEYE Name: 2-(4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(2-furylmethyl)acetamide
IUPAC Name: 2-(4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-chloranylphenoxy)-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C17H18ClNO5S
MOLECULAR WEIGHT: 383.84652
SMILES: C1CS(=O)(=O)CC1N(CC2=CC=CO2)C(=O)COC3=CC=C(C=C3)Cl
Structure:

CAS RN: 5972-99-6
CAS Name: N-(3-methoxypropyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
OPENEYE Name: N-(3-methoxypropyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
IUPAC Name: N-(3-methoxypropyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SYSTEMATIC NAME: N-(3-methoxypropyl)-2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide
MOLECULAR FORMULA: C14H18N2O4
MOLECULAR WEIGHT: 278.30372
SMILES: COCCCNC(=O)CN1C(=O)COC2=CC=CC=C21
Structure:

CAS RN: 5972-38-3
CAS Name: [5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-3-pyrrolyl]-[4-(2-chlorophenyl)-1-piperazinyl]methanone
OPENEYE Name: [5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-pyrrol-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
IUPAC Name: [5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrol-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: [5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-pyrrol-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C28H24Cl2FN3O
MOLECULAR WEIGHT: 508.414063
SMILES: CC1=C(C=C(N1C2=CC=CC=C2F)C3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C5=CC=CC=C5Cl
Structure:

CAS RN: 87555-55-3
CAS Name: 1-cyclohexyl-3-[1-(1-isoquinolinyl)ethylamino]-1-methylthiourea
OPENEYE Name: 1-cyclohexyl-3-[1-(1-isoquinolyl)ethylamino]-1-methyl-thiourea
IUPAC Name: 1-cyclohexyl-3-(1-isoquinolin-1-ylethylamino)-1-methylthiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-(1-isoquinolin-1-ylethylamino)-1-methyl-thiourea
MOLECULAR FORMULA: C19H26N4S
MOLECULAR WEIGHT: 342.50154
SMILES: CC(C1=NC=CC2=CC=CC=C21)NNC(=S)N(C)C3CCCCC3
Structure:

CAS RN: 6655-34-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H9Cl6NO3
MOLECULAR WEIGHT: 427.92276
SMILES: CCCON1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Structure:

CAS RN: 6448-75-5
CAS Name: 3a,8b-dihydrofuro[3,4-b]benzofuran-1,1,3,3-tetracarbonitrile
OPENEYE Name: 3a,8b-dihydrofuro[3,4-b]benzofuran-1,1,3,3-tetracarbonitrile
IUPAC Name: 3a,8b-dihydrofuro[3,4-b][1]benzofuran-1,1,3,3-tetracarbonitrile
SYSTEMATIC NAME: 3a,8b-dihydrofuro[3,4-b][1]benzofuran-1,1,3,3-tetracarbonitrile
MOLECULAR FORMULA: C14H6N4O2
MOLECULAR WEIGHT: 262.22304
SMILES: C1=CC=C2C(=C1)C3C(O2)C(OC3(C#N)C#N)(C#N)C#N
Structure:

CAS RN: 6893-12-5
CAS Name: 4-(4-chlorophenyl)-2-[[3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(4-chlorophenyl)-2-[3-[3-methoxy-4-(o-tolylmethoxy)phenyl]prop-2-enoylamino]-5-methyl-thiophene-3-carboxylate
IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoylamino]-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(4-chlorophenyl)-2-[3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoylamino]-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C32H30ClNO5S
MOLECULAR WEIGHT: 576.1023
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C)OC
Structure:

CAS RN: 6893-11-4
CAS Name: 2-[[3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate
IUPAC Name: methyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C24H21Cl2NO4S
MOLECULAR WEIGHT: 490.39884
SMILES: CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C=CC3=CC(=C(C=C3)Cl)Cl)C
Structure:

CAS RN: 6538-83-6
CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [3-(4-bromophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-bromophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate
IUPAC Name: [3-(4-bromophenoxy)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 9,10,10-trioxothioxanthene-3-carboxylate
SYSTEMATIC NAME: [3-(4-bromanylphenoxy)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate
MOLECULAR FORMULA: C31H16BrF3O8S
MOLECULAR WEIGHT: 685.41815
SMILES: CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)Br)C(F)(F)F)OC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O
Structure:

CAS RN: 6782-54-3
CAS Name: N-(2-ethylphenyl)-2-(3-ethylphenyl)imino-5-(hydroxymethyl)-8-methyl-3-pyrano[2,3-c]pyridinecarboxamide
OPENEYE Name: N-(2-ethylphenyl)-2-(3-ethylphenyl)imino-5-(hydroxymethyl)-8-methyl-pyrano[2,3-c]pyridine-3-carboxamide
IUPAC Name: N-(2-ethylphenyl)-2-(3-ethylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SYSTEMATIC NAME: N-(2-ethylphenyl)-2-(3-ethylphenyl)imino-5-(hydroxymethyl)-8-methyl-pyrano[2,3-c]pyridine-3-carboxamide
MOLECULAR FORMULA: C27H27N3O3
MOLECULAR WEIGHT: 441.52158
SMILES: CCC1=CC(=CC=C1)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=O)NC4=CC=CC=C4CC
Structure:

CAS RN: 6198-09-0
CAS Name: N-(5-chloro-2-methoxyphenyl)-5-[ethyl-(phenylmethyl)sulfamoyl]-2-fluorobenzamide
OPENEYE Name: 5-[benzyl(ethyl)sulfamoyl]-N-(5-chloro-2-methoxy-phenyl)-2-fluoro-benzamide
IUPAC Name: 5-[benzyl(ethyl)sulfamoyl]-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methoxy-phenyl)-5-[ethyl-(phenylmethyl)sulfamoyl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C23H22ClFN2O4S
MOLECULAR WEIGHT: 476.948183
SMILES: CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=CC(=C3)Cl)OC
Structure:

CAS RN: 6198-08-9
CAS Name: N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]benzamide
OPENEYE Name: N-(5-chloro-2-methoxy-phenyl)-2-fluoro-5-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-benzamide
IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methoxy-phenyl)-2-fluoranyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-benzamide
MOLECULAR FORMULA: C26H27ClFN3O4S
MOLECULAR WEIGHT: 532.026683
SMILES: CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)Cl)OC
Structure:

CAS RN: 6377-04-4
CAS Name: N-(2-methyl-5-sulfamoylphenyl)-2-thiophenecarboxamide
OPENEYE Name: N-(2-methyl-5-sulfamoyl-phenyl)thiophene-2-carboxamide
IUPAC Name: N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
SYSTEMATIC NAME: N-(2-methyl-5-sulfamoyl-phenyl)thiophene-2-carboxamide
MOLECULAR FORMULA: C12H12N2O3S2
MOLECULAR WEIGHT: 296.36528
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CS2
Structure:

CAS RN: 5113-49-5
CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[(2,5-dimethoxyphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[(2,5-dimethoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(2,5-dimethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 406.47424
SMILES: COC1=CC(=C(C=C1)OC)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O
Structure:

CAS RN: 6874-97-1
CAS Name: 3-(3-nitrophenyl)-2-propenoic acid [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate
IUPAC Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate
SYSTEMATIC NAME: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate
MOLECULAR FORMULA: C25H13ClF3NO6
MOLECULAR WEIGHT: 515.82203
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Cl
Structure:

CAS RN: 4595-84-0
CAS Name: 3-[(4-nitrophenyl)thio]-1-phenylpyrrolidine-2,5-dione
OPENEYE Name: 3-(4-nitrophenyl)sulfanyl-1-phenyl-pyrrolidine-2,5-dione
IUPAC Name: 3-(4-nitrophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-(4-nitrophenyl)sulfanyl-1-phenyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C16H12N2O4S
MOLECULAR WEIGHT: 328.34248
SMILES: C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 4529-63-9
CAS Name: 4-[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]hydrazinylidene]ethyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]hydrazono]ethyl]benzoate
IUPAC Name: methyl 4-[2-[[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]hydrazinylidene]ethyl]benzoate
SYSTEMATIC NAME: methyl 4-[2-[[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]hydrazinylidene]ethyl]benzoate
MOLECULAR FORMULA: C19H20N4O3
MOLECULAR WEIGHT: 352.3871
SMILES: CC1=NC(=C(C(=C1)COC)C#N)NN=CCC2=CC=C(C=C2)C(=O)OC
Structure:

CAS RN: 4556-55-2
CAS Name: 6-ethyl-7-methoxy-3-(4-methoxyphenyl)-2-methyl-1-benzopyran-4-one
OPENEYE Name: 6-ethyl-7-methoxy-3-(4-methoxyphenyl)-2-methyl-chromen-4-one
IUPAC Name: 6-ethyl-7-methoxy-3-(4-methoxyphenyl)-2-methylchromen-4-one
SYSTEMATIC NAME: 6-ethyl-7-methoxy-3-(4-methoxyphenyl)-2-methyl-chromen-4-one
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)OC)OC
Structure:

CAS RN: 4528-96-5
CAS Name: 3-amino-6-tert-butyl-N-(3-nitrophenyl)-4-phenyl-2-thieno[2,3-b]pyridinecarboxamide
OPENEYE Name: 3-amino-6-tert-butyl-N-(3-nitrophenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxamide
IUPAC Name: 3-amino-6-tert-butyl-N-(3-nitrophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SYSTEMATIC NAME: 3-azanyl-6-tert-butyl-N-(3-nitrophenyl)-4-phenyl-thieno[2,3-b]pyridine-2-carboxamide
MOLECULAR FORMULA: C24H22N4O3S
MOLECULAR WEIGHT: 446.52148
SMILES: CC(C)(C)C1=NC2=C(C(=C1)C3=CC=CC=C3)C(=C(S2)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])N
Structure:

CAS RN: 6383-64-8
CAS Name: acetic acid [6-(N-ethylanilino)-2,3-dimethylhex-1-en-4-yn-3-yl] ester
OPENEYE Name: [4-(N-ethylanilino)-1-isopropenyl-1-methyl-but-2-ynyl] acetate
IUPAC Name: [6-(N-ethylanilino)-2,3-dimethylhex-1-en-4-yn-3-yl] acetate
SYSTEMATIC NAME: [6-[ethyl(phenyl)amino]-2,3-dimethyl-hex-1-en-4-yn-3-yl] ethanoate
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CCN(CC#CC(C)(C(=C)C)OC(=O)C)C1=CC=CC=C1
Structure:

CAS RN: 6093-65-8
CAS Name: 5-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid
OPENEYE Name: 5-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-5-oxo-pentanoic acid
IUPAC Name: 5-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[3-[4-[4-(hydroxymethyl)phenyl]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C26H29N3O6S2
MOLECULAR WEIGHT: 543.65496
SMILES: CC1=NN=C(S1)SCC2CC(OC(O2)C3=CC(=CC=C3)NC(=O)CCCC(=O)O)C4=CC=C(C=C4)CO
Structure:

CAS RN: 6093-04-5
CAS Name: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-(methoxymethyl)-1-pyrrolidinyl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
OPENEYE Name: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-phenyl-2-(p-tolylsulfonylamino)propanamide
IUPAC Name: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SYSTEMATIC NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide
MOLECULAR FORMULA: C47H53N3O7S
MOLECULAR WEIGHT: 804.00462
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)C4=CC=C(C=C4)C5OC(CC(O5)C6=CC=C(C=C6)CO)CN7CCCC7COC
Structure:

CAS RN: 6241-39-0
CAS Name: 6-methyl-2-[[1-oxo-2-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-methyl-2-[[2-[(5-styryl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 6-methyl-2-[[2-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 6-methyl-2-[2-[[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C24H25N3O4S2
MOLECULAR WEIGHT: 483.603
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=C(O3)C=CC4=CC=CC=C4
Structure:

CAS RN: 6656-54-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: CCOC(=O)C1C2C1C3=CC=CC4=C3C(=C2)CC4
Structure:

CAS RN: 32406-62-5
CAS Name: 1-(1-adamantyl)-3-[(5-chloro-2-thiophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(5-chloro-2-thienyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(5-chlorothiophen-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(5-chloranylthiophen-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C16H20ClN3S2
MOLECULAR WEIGHT: 353.9331
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC=C(S4)Cl
Structure:

CAS RN: 6268-26-4
CAS Name: 1,3-bis(4-aminophenyl)thiourea
OPENEYE Name: 1,3-bis(4-aminophenyl)thiourea
IUPAC Name: 1,3-bis(4-aminophenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(4-aminophenyl)thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: C1=CC(=CC=C1N)NC(=S)NC2=CC=C(C=C2)N
Structure:

CAS RN: 6117-57-3
CAS Name: 1H-pyrazole-5-carboxylic acid 2,2,2-trinitroethyl ester
OPENEYE Name: 2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate
IUPAC Name: 2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: 2,2,2-trinitroethyl 1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C6H5N5O8
MOLECULAR WEIGHT: 275.1326
SMILES: C1=C(NN=C1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 6887-67-8
CAS Name: 2-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile
OPENEYE Name: 2-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
IUPAC Name: 2-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: 2-(phenylsulfonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H17NO5S
MOLECULAR WEIGHT: 359.39628
SMILES: COC1=CC(=CC(=C1OC)OC)C=C(C#N)S(=O)(=O)C2=CC=CC=C2
Structure:

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