CAS RN: 5837-42-3
CAS Name: 3-[(4-fluorophenyl)thio]-2-(3-methylbutyl)-3H-isoindol-1-one
OPENEYE Name: 3-(4-fluorophenyl)sulfanyl-2-isopentyl-isoindolin-1-one
IUPAC Name: 3-(4-fluorophenyl)sulfanyl-2-(3-methylbutyl)-3H-isoindol-1-one
SYSTEMATIC NAME: 3-(4-fluorophenyl)sulfanyl-2-(3-methylbutyl)-3H-isoindol-1-one
MOLECULAR FORMULA: C19H20FNOS
MOLECULAR WEIGHT: 329.431603
SMILES: CC(C)CCN1C(C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)F
Structure:
CAS RN: 5923-08-0
CAS Name: 3-bromo-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylbenzamide
OPENEYE Name: 3-bromo-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxo-ethyl]-N-propyl-benzamide
IUPAC Name: 3-bromo-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propylbenzamide
SYSTEMATIC NAME: 3-bromanyl-N-[2-[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxidanylidene-ethyl]-N-propyl-benzamide
MOLECULAR FORMULA: C25H25BrFN3O2
MOLECULAR WEIGHT: 498.387303
SMILES: CCCN(CC(=O)N1CCN2C=CC=C2C1C3=CC=CC=C3F)C(=O)C4=CC(=CC=C4)Br
Structure:
CAS RN: 5386-46-9
CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester
OPENEYE Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate
IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate
MOLECULAR FORMULA: C15H18F3N3O5
MOLECULAR WEIGHT: 377.31573
SMILES: CC(C)NC(=O)COC(=O)C(C)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 5630-54-6
CAS Name: 2-chloro-N-[2-(4-methoxyphenyl)-5-benzotriazolyl]-5-nitrobenzamide
OPENEYE Name: 2-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-5-nitro-benzamide
IUPAC Name: 2-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-5-nitrobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-5-nitro-benzamide
MOLECULAR FORMULA: C20H14ClN5O4
MOLECULAR WEIGHT: 423.80926
SMILES: COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
Structure:
CAS RN: 5324-17-4
CAS Name: 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]-2-oxolanone
OPENEYE Name: 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]tetrahydrofuran-2-one
IUPAC Name: 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SYSTEMATIC NAME: 3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
MOLECULAR FORMULA: C12H9ClN2O3S
MOLECULAR WEIGHT: 296.72946
SMILES: C1COC(=O)C1SC2=NN=C(O2)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 5902-67-0
CAS Name: N-butyl-4-[4-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1-piperazinecarboxamide
OPENEYE Name: N-butyl-4-[4-(3,5,5-trimethylhexanoylamino)phenyl]piperazine-1-carboxamide
IUPAC Name: N-butyl-4-[4-(3,5,5-trimethylhexanoylamino)phenyl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-butyl-4-[4-(3,5,5-trimethylhexanoylamino)phenyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C24H40N4O2
MOLECULAR WEIGHT: 416.6
SMILES: CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C
Structure:
CAS RN: 5899-60-5
CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
OPENEYE Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(2,6-diisopropylphenyl)urea
IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
SYSTEMATIC NAME: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-[2,6-di(propan-2-yl)phenyl]urea
MOLECULAR FORMULA: C33H40N4O2
MOLECULAR WEIGHT: 524.6963
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5
Structure:
CAS RN: 5562-88-9
CAS Name: N-[[4-(diethylamino)phenyl]methyl]-5-(3-methoxyphenyl)-1-methyl-2-imidazolamine
OPENEYE Name: N-[[4-(diethylamino)phenyl]methyl]-5-(3-methoxyphenyl)-1-methyl-imidazol-2-amine
IUPAC Name: N-[[4-(diethylamino)phenyl]methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine
SYSTEMATIC NAME: N-[[4-(diethylamino)phenyl]methyl]-5-(3-methoxyphenyl)-1-methyl-imidazol-2-amine
MOLECULAR FORMULA: C22H28N4O
MOLECULAR WEIGHT: 364.48392
SMILES: CCN(CC)C1=CC=C(C=C1)CNC2=NC=C(N2C)C3=CC(=CC=C3)OC
Structure:
CAS RN: 5562-27-6
CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-(diphenylmethyl)-1-piperazinyl]acetamide
OPENEYE Name: 2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(tert-butylcarbamoyl)-2-[4-(diphenylmethyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C24H32N4O2
MOLECULAR WEIGHT: 408.53648
SMILES: CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5744-98-9
CAS Name: 3-(3-fluorophenyl)-2-propenoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester
OPENEYE Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-(3-fluorophenyl)prop-2-enoate
IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-(3-fluorophenyl)prop-2-enoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-(3-fluorophenyl)prop-2-enoate
MOLECULAR FORMULA: C18H18FNO3
MOLECULAR WEIGHT: 315.338823
SMILES: CC1=CC(=C(N1C)C)C(=O)COC(=O)C=CC2=CC(=CC=C2)F
Structure:
CAS RN: 5741-92-4
CAS Name: 2-(4-fluorophenyl)acetic acid (4-benzoylphenyl) ester
OPENEYE Name: (4-benzoylphenyl) 2-(4-fluorophenyl)acetate
IUPAC Name: (4-benzoylphenyl) 2-(4-fluorophenyl)acetate
SYSTEMATIC NAME: [4-(phenylcarbonyl)phenyl] 2-(4-fluorophenyl)ethanoate
MOLECULAR FORMULA: C21H15FO3
MOLECULAR WEIGHT: 334.340403
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(=O)CC3=CC=C(C=C3)F
Structure:
CAS RN: 5741-31-1
CAS Name: 3-methoxybenzoic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
OPENEYE Name: [2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3-methoxybenzoate
IUPAC Name: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3-methoxybenzoate
SYSTEMATIC NAME: [2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-methoxybenzoate
MOLECULAR FORMULA: C19H23N3O6
MOLECULAR WEIGHT: 389.40242
SMILES: CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=CC=C2)OC)N
Structure:
CAS RN: 5383-36-8
CAS Name: 2-[3-(trifluoromethyl)phenyl]acetic acid [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] ester
OPENEYE Name: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
IUPAC Name: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]ethyl] 2-[3-(trifluoromethyl)phenyl]ethanoate
MOLECULAR FORMULA: C23H24F3N3O5S
MOLECULAR WEIGHT: 511.51397
SMILES: C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CC3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 5824-76-0
CAS Name: 4-[[4-[3-(4-chlorophenoxy)propoxy]-3-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: 4-[[4-[3-(4-chlorophenoxy)propoxy]-3-methoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-[[4-[3-(4-chlorophenoxy)propoxy]-3-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-[[4-[3-(4-chloranylphenoxy)propoxy]-3-methoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C26H23ClN2O5
MOLECULAR WEIGHT: 478.92422
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCCCOC4=CC=C(C=C4)Cl
Structure:
CAS RN: 5824-75-9
CAS Name: 5-[[3-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[3-[3-(4-chlorophenoxy)propoxy]phenyl]methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[3-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[3-[3-(4-chloranylphenoxy)propoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C25H20ClNO3S2
MOLECULAR WEIGHT: 482.0142
SMILES: C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)OCCCOC4=CC=C(C=C4)Cl)SC2=S
Structure:
CAS RN: 5824-74-8
CAS Name: 4-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: 4-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-[[4-[[2,6-bis(chloranyl)phenyl]methoxy]-3-chloranyl-5-methoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C24H17Cl3N2O4
MOLECULAR WEIGHT: 503.76178
SMILES: COC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl)OCC4=C(C=CC=C4Cl)Cl
Structure:
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