CAS RN: 4571-99-7
CAS Name: 5-(carbamoylamino)-2-[[1-oxo-2-(2,3,5,9-tetramethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)ethyl]amino]pentanoic acid
OPENEYE Name: 2-[[2-(2,3,5,9-tetramethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]-5-ureido-pentanoic acid
IUPAC Name: 5-(carbamoylamino)-2-[[2-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
SYSTEMATIC NAME: 5-(aminocarbonylamino)-2-[2-(2,3,5,9-tetramethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]pentanoic acid
MOLECULAR FORMULA: C23H27N3O7
MOLECULAR WEIGHT: 457.47638
SMILES: CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CC(=O)NC(CCCNC(=O)N)C(=O)O)C)C
Structure:
CAS RN: 4571-38-4
CAS Name: N-(1,3-benzodioxol-5-yl)-5-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)-2-pyrrolidinecarboxamide
OPENEYE Name: N-(1,3-benzodioxol-5-yl)-5-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)pyrrolidine-2-carboxamide
IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-5-oxidanylidene-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C20H16N2O6
MOLECULAR WEIGHT: 380.35084
SMILES: C1CC(=O)N(C1C(=O)NC2=CC3=C(C=C2)OCO3)C4C5=CC=CC=C5C(=O)O4
Structure:
CAS RN: 4698-34-4
CAS Name: 2-methylpropanoic acid [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]ethylidene]amino] ester
OPENEYE Name: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 2-methylpropanoate
IUPAC Name: [[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 2-methylpropanoate
SYSTEMATIC NAME: [[2,2,2-tris(fluoranyl)-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]amino] 2-methylpropanoate
MOLECULAR FORMULA: C24H22F4N2O4S
MOLECULAR WEIGHT: 510.501093
SMILES: CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C(=NOC(=O)C(C)C)C(F)(F)F
Structure:
CAS RN: 4941-70-2
CAS Name: 6-methylbenzo[b]quinolizin-5-ium
OPENEYE Name: 6-methylbenzo[b]quinolizin-5-ium
IUPAC Name: 6-methylbenzo[b]quinolizin-5-ium
SYSTEMATIC NAME: 6-methylbenzo[b]quinolizin-5-ium
MOLECULAR FORMULA: C14H12N+
MOLECULAR WEIGHT: 194.25178
SMILES: CC1=[N+]2C=CC=CC2=CC3=CC=CC=C13
Structure:
CAS RN: 22712-29-4
CAS Name: 8-chloro-3,7-dihydropurin-6-one
OPENEYE Name: 8-chloro-3,7-dihydropurin-6-one
IUPAC Name: 8-chloro-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 8-chloranyl-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C5H3ClN4O
MOLECULAR WEIGHT: 170.55652
SMILES: C1=NC(=O)C2=C(N1)N=C(N2)Cl
Structure:
CAS RN: 5213-81-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H59N3O14
MOLECULAR WEIGHT: 974.05796
SMILES: C=CCOC12C(CC(=NOC3CCCCO3)C4=CC(C(C(C41)C5=C(O2)C=CC(=C5)OC6=CC=CC(=C6)C=O)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)OC9=CC=C(C=C9)[N+](=O)[O-]
Structure:
CAS RN: 5134-20-3
CAS Name: 3-(2-ethoxy-5-propan-2-ylphenyl)-6-imidazo[2,1-b]thiazolecarboxylic acid
OPENEYE Name: 3-(2-ethoxy-5-isopropyl-phenyl)imidazo[2,1-b]thiazole-6-carboxylic acid
IUPAC Name: 3-(2-ethoxy-5-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SYSTEMATIC NAME: 3-(2-ethoxy-5-propan-2-yl-phenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
MOLECULAR FORMULA: C17H18N2O3S
MOLECULAR WEIGHT: 330.40142
SMILES: CCOC1=C(C=C(C=C1)C(C)C)C2=CSC3=NC(=CN23)C(=O)O
Structure:
CAS RN: 5632-30-4
CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid cyanomethyl ester
OPENEYE Name: cyanomethyl 3-(1,3-dioxoisoindolin-2-yl)propanoate
IUPAC Name: cyanomethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
SYSTEMATIC NAME: cyanomethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate
MOLECULAR FORMULA: C13H10N2O4
MOLECULAR WEIGHT: 258.2295
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC#N
Structure:
CAS RN: 5496-86-6
CAS Name: 8-methoxy-2-oxo-N'-phenyl-1-benzopyran-3-carbohydrazide
OPENEYE Name: 8-methoxy-2-oxo-N'-phenyl-chromene-3-carbohydrazide
IUPAC Name: 8-methoxy-2-oxo-N'-phenylchromene-3-carbohydrazide
SYSTEMATIC NAME: 8-methoxy-2-oxidanylidene-N'-phenyl-chromene-3-carbohydrazide
MOLECULAR FORMULA: C17H14N2O4
MOLECULAR WEIGHT: 310.30406
SMILES: COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NNC3=CC=CC=C3
Structure:
CAS RN: 5311-66-0
CAS Name: 3,3,5-triphenyl-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3,3,5-triphenylpyrazole-4-carboxylate
IUPAC Name: ethyl 3,3,5-triphenylpyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 3,3,5-triphenylpyrazole-4-carboxylate
MOLECULAR FORMULA: C24H20N2O2
MOLECULAR WEIGHT: 368.4278
SMILES: CCOC(=O)C1=C(N=NC1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 4625-41-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H24N4
MOLECULAR WEIGHT: 404.50626
SMILES: CN(C)C=CC1=C(C2=C(N1C3=CC=CC=C3)C(=C4CCCC4=N2)C5=CC=CC=C5)C#N
Structure:
CAS RN: 4562-25-8
CAS Name: 2-propenoic acid (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl ester
OPENEYE Name: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl prop-2-enoate
IUPAC Name: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl prop-2-enoate
SYSTEMATIC NAME: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl prop-2-enoate
MOLECULAR FORMULA: C14H24NO2+
MOLECULAR WEIGHT: 238.34586
SMILES: C[N+]12CCCCC1C(CCC2)COC(=O)C=C
Structure:
CAS RN: 5726-91-0
CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanamide
OPENEYE Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
SYSTEMATIC NAME: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[4-chloranyl-3-(trifluoromethyl)phenyl]butanamide
MOLECULAR FORMULA: C23H16ClF3N2O3
MOLECULAR WEIGHT: 460.83295
SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F
Structure:
CAS RN: 5952-45-4
CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-2-[[(4-ethoxyanilino)-oxomethyl]-(2-methoxyethyl)amino]acetamide
OPENEYE Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
SYSTEMATIC NAME: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]ethanamide
MOLECULAR FORMULA: C30H39BrN4O4
MOLECULAR WEIGHT: 599.55906
SMILES: CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCOC)C(=O)NC3=CC=C(C=C3)OCC
Structure:
CAS RN: 5948-77-6
CAS Name: N-hexyl-2-[[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide
OPENEYE Name: 2-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-thiazole-4-carboxamide
IUPAC Name: 2-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-hexyl-2-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C27H31N5OS2
MOLECULAR WEIGHT: 505.69794
SMILES: CCCCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3C)CC4=CC=CC=C4
Structure:
CAS RN: 5327-48-0
CAS Name: 2-[3-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-indolyl]acetic acid
OPENEYE Name: 2-[3-[(ethylcarbamothioylhydrazono)methyl]indol-1-yl]acetic acid
IUPAC Name: 2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]ethanoic acid
MOLECULAR FORMULA: C14H16N4O2S
MOLECULAR WEIGHT: 304.36744
SMILES: CCNC(=S)NN=CC1=CN(C2=CC=CC=C21)CC(=O)O
Structure:
CAS RN: 4709-19-7
CAS Name: N'-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-N,N-dimethylmethanimidamide
OPENEYE Name: N'-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-N,N-dimethyl-formamidine
IUPAC Name: N'-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
SYSTEMATIC NAME: N'-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-N,N-dimethyl-methanimidamide
MOLECULAR FORMULA: C13H13N3O2S
MOLECULAR WEIGHT: 275.32622
SMILES: CN(C)C=NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 4770-40-5
CAS Name: 6-(4-methoxyphenyl)-2-(methylthio)-4-phenyl-6H-1,3-thiazine
OPENEYE Name: 6-(4-methoxyphenyl)-2-methylsulfanyl-4-phenyl-6H-1,3-thiazine
IUPAC Name: 6-(4-methoxyphenyl)-2-methylsulfanyl-4-phenyl-6H-1,3-thiazine
SYSTEMATIC NAME: 6-(4-methoxyphenyl)-2-methylsulfanyl-4-phenyl-6H-1,3-thiazine
MOLECULAR FORMULA: C18H17NOS2
MOLECULAR WEIGHT: 327.46368
SMILES: COC1=CC=C(C=C1)C2C=C(N=C(S2)SC)C3=CC=CC=C3
Structure:
CAS RN: 4668-03-5
CAS Name: 2,4-diphenyl-1-(2-pyrimidinyl)-5,6-dihydrobenzo[h]quinolin-1-ium
OPENEYE Name: 2,4-diphenyl-1-pyrimidin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium
IUPAC Name: 2,4-diphenyl-1-pyrimidin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium
SYSTEMATIC NAME: 2,4-diphenyl-1-pyrimidin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium
MOLECULAR FORMULA: C29H22N3+
MOLECULAR WEIGHT: 412.50508
SMILES: C1CC2=C(C3=CC=CC=C31)[N+](=C(C=C2C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=CC=N6
Structure:
CAS RN: 5331-46-4
CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichloroanilino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide
OPENEYE Name: N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]carbamothioyl]-3-(2-furyl)prop-2-enamide
IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
SYSTEMATIC NAME: N-[[5-(1,3-benzothiazol-2-yl)-2,4-bis(chloranyl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C21H13Cl2N3O2S2
MOLECULAR WEIGHT: 474.38282
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3Cl)Cl)NC(=S)NC(=O)C=CC4=CC=CO4
Structure:
CAS RN: 5498-78-2
CAS Name: 2-[[4-(2,4-dichlorophenyl)-2-thiazolyl]thio]-N-(2,4-dimethylphenyl)acetamide
OPENEYE Name: 2-[4-(2,4-dichlorophenyl)thiazol-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
IUPAC Name: 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C19H16Cl2N2OS2
MOLECULAR WEIGHT: 423.37914
SMILES: CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)C
Structure:
CAS RN: 5848-19-1
CAS Name: 6-methoxy-4-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-2-quinazolinamine
OPENEYE Name: 6-methoxy-4-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
IUPAC Name: 6-methoxy-4-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
SYSTEMATIC NAME: 6-methoxy-4-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
MOLECULAR FORMULA: C17H19N5O
MOLECULAR WEIGHT: 309.36566
SMILES: CC1=C(N=C(N=C1C)NC2=NC3=C(C=C(C=C3)OC)C(=N2)C)C
Structure:
CAS RN: 6402-79-5
CAS Name: 4-[(2,2-dimethyl-1-oxopropyl)amino]-N-[4-[4-[[[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]phenoxy]phenyl]benzamide
OPENEYE Name: 4-(2,2-dimethylpropanoylamino)-N-[4-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]phenyl]benzamide
IUPAC Name: 4-(2,2-dimethylpropanoylamino)-N-[4-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]phenyl]benzamide
SYSTEMATIC NAME: 4-(2,2-dimethylpropanoylamino)-N-[4-[4-[[4-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]phenoxy]phenyl]benzamide
MOLECULAR FORMULA: C36H38N4O5
MOLECULAR WEIGHT: 606.71072
SMILES: CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)NC(=O)C(C)(C)C
Structure:
CAS RN: 6229-37-4
CAS Name: N-[2-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-1-indolyl]ethyl]-3,4-dimethylbenzamide
OPENEYE Name: N-[2-[3-[2-(2,3-dimethylanilino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethyl-benzamide
IUPAC Name: N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-[2-[3-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C29H31N3O2S
MOLECULAR WEIGHT: 485.64034
SMILES: CC1=C(C(=CC=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=C(C=C4)C)C)C
Structure:
CAS RN: 6226-92-2
CAS Name: 2-ethyl-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
OPENEYE Name: 2-ethyl-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
IUPAC Name: 2-ethyl-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SYSTEMATIC NAME: 2-ethyl-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
MOLECULAR FORMULA: C17H20FN3OS
MOLECULAR WEIGHT: 333.423603
SMILES: CCC(CC)C(=O)NC1=C2CSCC2=NN1C3=CC=C(C=C3)F
Structure:
CAS RN: 6264-26-2
CAS Name: N-[4-(2,4-dichlorophenyl)-2-thiazolyl]-3,4-dimethylbenzamide
OPENEYE Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-3,4-dimethyl-benzamide
IUPAC Name: N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C18H14Cl2N2OS
MOLECULAR WEIGHT: 377.28756
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)C
Structure:
CAS RN: 6235-84-3
CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)thio]acetamide
OPENEYE Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C24H19N3OS2
MOLECULAR WEIGHT: 429.55716
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(NC4=CC=CC=C43)C5=CC=CC=C5
Structure:
CAS RN: 6235-23-0
CAS Name: 4-tert-butylbenzoic acid [5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-2-phenyl-3-pyrazolyl] ester
OPENEYE Name: [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-tert-butylbenzoate
IUPAC Name: [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-tert-butylbenzoate
SYSTEMATIC NAME: [5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-2-phenyl-pyrazol-3-yl] 4-tert-butylbenzoate
MOLECULAR FORMULA: C27H21F5N2O2S
MOLECULAR WEIGHT: 532.524856
SMILES: CC1=NN(C(=C1SC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4
Structure:
CAS RN: 6230-93-9
CAS Name: 4-[(4-butylcyclohexyl)-oxomethyl]-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
OPENEYE Name: 4-(4-butylcyclohexanecarbonyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
IUPAC Name: 4-(4-butylcyclohexanecarbonyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 4-(4-butylcyclohexyl)carbonyl-7-fluoranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C26H30F2N2O2
MOLECULAR WEIGHT: 440.525406
SMILES: CCCCC1CCC(CC1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)F
Structure:
CAS RN: 6014-89-7
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzamide
OPENEYE Name: N-[2-[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]-N-isobutyl-4-nitro-benzamide
IUPAC Name: N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-4-nitro-benzamide
MOLECULAR FORMULA: C26H28FN3O5
MOLECULAR WEIGHT: 481.516023
SMILES: CC1=CC=C(O1)CN(CC2=CC=C(C=C2)F)C(=O)CN(CC(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 6052-48-8
CAS Name: N-[6-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-3-(1H-indol-3-ylmethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamic acid 9H-fluoren-9-ylmethyl ester
OPENEYE Name: 9H-fluoren-9-ylmethyl N-[6-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-ethyl]-3-(1H-indol-3-ylmethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
IUPAC Name: 9H-fluoren-9-ylmethyl N-[6-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-3-(1H-indol-3-ylmethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
SYSTEMATIC NAME: 9H-fluoren-9-ylmethyl N-[6-[2-[2-(2-hydroxyethyloxy)ethylamino]-2-oxidanylidene-ethyl]-3-(1H-indol-3-ylmethyl)-5,13-bis(oxidanylidene)-1-oxa-4-azacyclotridec-8-en-12-yl]carbamate
MOLECULAR FORMULA: C41H46N4O8
MOLECULAR WEIGHT: 722.82594
SMILES: C1CC(C(=O)OCC(NC(=O)C(CC=C1)CC(=O)NCCOCCO)CC2=CNC3=CC=CC=C32)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
Structure:
CAS RN: 6048-19-7
CAS Name: 2-(2-furanyl)-2-(phenylmethoxycarbonylamino)acetic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)-2-(2-furyl)acetic acid
IUPAC Name: 2-(furan-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid
SYSTEMATIC NAME: 2-(furan-2-yl)-2-(phenylmethoxycarbonylamino)ethanoic acid
MOLECULAR FORMULA: C14H13NO5
MOLECULAR WEIGHT: 275.25672
SMILES: C1=CC=C(C=C1)COC(=O)NC(C2=CC=CO2)C(=O)O
Structure:
CAS RN: 61886-78-0
CAS Name: 2-(2-furanyl)-2-(phenylmethoxycarbonylamino)acetic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)-2-(2-furyl)acetic acid
IUPAC Name: 2-(furan-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid
SYSTEMATIC NAME: 2-(furan-2-yl)-2-(phenylmethoxycarbonylamino)ethanoic acid
MOLECULAR FORMULA: C14H13NO5
MOLECULAR WEIGHT: 275.25672
SMILES: C1=CC=C(C=C1)COC(=O)NC(C2=CC=CO2)C(=O)O
Structure:
CAS RN: 6752-97-2
CAS Name: 5-(1-adamantyl)-N'-[1-(2-naphthalenyl)ethenyl]-1H-pyrazole-3-carbohydrazide
OPENEYE Name: 5-(1-adamantyl)-N'-[1-(2-naphthyl)vinyl]-1H-pyrazole-3-carbohydrazide
IUPAC Name: 5-(1-adamantyl)-N'-(1-naphthalen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide
SYSTEMATIC NAME: 5-(1-adamantyl)-N'-(1-naphthalen-2-ylethenyl)-1H-pyrazole-3-carbohydrazide
MOLECULAR FORMULA: C26H28N4O
MOLECULAR WEIGHT: 412.52672
SMILES: C=C(C1=CC2=CC=CC=C2C=C1)NNC(=O)C3=NNC(=C3)C45CC6CC(C4)CC(C6)C5
Structure:
CAS RN: 4034-47-3
CAS Name: 1-[(4-bromoanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[(4-bromophenyl)carbamothioyl]piperidine-3-carboxylate
IUPAC Name: ethyl 1-[(4-bromophenyl)carbamothioyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[(4-bromophenyl)carbamothioyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C15H19BrN2O2S
MOLECULAR WEIGHT: 371.29256
SMILES: CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)Br
Structure:
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