CAS RN: 5546-65-6
CAS Name: 2-benzamido-2-phenylacetic acid (1,3-dioxo-2-isoindolyl)methyl ester
OPENEYE Name: (1,3-dioxoisoindolin-2-yl)methyl 2-benzamido-2-phenyl-acetate
IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-benzamido-2-phenylacetate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-benzamido-2-phenyl-ethanoate
MOLECULAR FORMULA: C24H18N2O5
MOLECULAR WEIGHT: 414.41012
SMILES: C1=CC=C(C=C1)C(C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4
Structure:
CAS RN: 5680-06-8
CAS Name: N'-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]oxamide
OPENEYE Name: N'-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyleneamino]oxamide
IUPAC Name: N'-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]oxamide
SYSTEMATIC NAME: N'-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]ethanediamide
MOLECULAR FORMULA: C12H16N4O3
MOLECULAR WEIGHT: 264.28044
SMILES: CN(CCO)C1=CC=C(C=C1)C=NNC(=O)C(=O)N
Structure:
CAS RN: 5340-72-7
CAS Name: 4-methyl-3-(prop-2-ynylthio)-1,2,4-triazole
OPENEYE Name: 4-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
IUPAC Name: 4-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
SYSTEMATIC NAME: 4-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
MOLECULAR FORMULA: C6H7N3S
MOLECULAR WEIGHT: 153.20488
SMILES: CN1C=NN=C1SCC#C
Structure:
CAS RN: 5340-11-4
CAS Name: N-[[2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-hydroxy-2-naphthalenecarboxamide
OPENEYE Name: N-[[2-[2-(4-fluoroanilino)-2-oxo-ethoxy]phenyl]methyleneamino]-3-hydroxy-naphthalene-2-carboxamide
IUPAC Name: N-[[2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SYSTEMATIC NAME: N-[[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylideneamino]-3-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C26H20FN3O4
MOLECULAR WEIGHT: 457.453103
SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=CC=CC=C3OCC(=O)NC4=CC=C(C=C4)F)O
Structure:
CAS RN: 5543-44-2
CAS Name: 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
IUPAC Name: 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C24H25FN2O3
MOLECULAR WEIGHT: 408.465303
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(=CC3)C4=CC=C(C=C4)F
Structure:
CAS RN: 5990-40-9
CAS Name: 4-(3-fluorophenyl)-6-methyl-2-oxo-1-[[4-[oxo-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methyl]phenyl]methyl]-3,4-dihydropyridine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[[4-(4-cinnamylpiperazine-1-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
IUPAC Name: ethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1-[[4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-(3-fluorophenyl)-6-methyl-2-oxidanylidene-1-[[4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonylphenyl]methyl]-3,4-dihydropyridine-5-carboxylate
MOLECULAR FORMULA: C36H38FN3O4
MOLECULAR WEIGHT: 595.703023
SMILES: CCOC(=O)C1=C(N(C(=O)CC1C2=CC(=CC=C2)F)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5)C
Structure:
CAS RN: 5456-81-5
CAS Name: N-(2,6-diethylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide
OPENEYE Name: N-(2,6-diethylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
IUPAC Name: N-(2,6-diethylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2,6-diethylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C27H28N4O2S
MOLECULAR WEIGHT: 472.60182
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4
Structure:
CAS RN: 5993-54-4
CAS Name: 6-[3-[[dimethylamino(oxo)methyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-[3-(dimethylcarbamoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate
IUPAC Name: ethyl 6-[3-(dimethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 6-[3-(dimethylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C18H24N4O3S
MOLECULAR WEIGHT: 376.47316
SMILES: CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)N(C)C)C)C
Structure:
CAS RN: 5424-44-2
CAS Name: N-(3,5-dimethylphenyl)-2-phenyl-2-(1-pyrrolidinyl)acetamide
OPENEYE Name: N-(3,5-dimethylphenyl)-2-phenyl-2-pyrrolidin-1-yl-acetamide
IUPAC Name: N-(3,5-dimethylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-2-phenyl-2-pyrrolidin-1-yl-ethanamide
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC3)C
Structure:
CAS RN: 5486-38-4
CAS Name: 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: 4-[[3-chloro-4-(p-tolylmethoxy)phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-[[3-chloranyl-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C24H19ClN2O3
MOLECULAR WEIGHT: 418.87226
SMILES: CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)Cl
Structure:
CAS RN: 5639-02-1
CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate
IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C26H29NO5S
MOLECULAR WEIGHT: 467.57716
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4
Structure:
CAS RN: 5852-10-8
CAS Name: 2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile
OPENEYE Name: 2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile
IUPAC Name: 2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(6-nitro-1H-benzimidazol-2-yl)ethanenitrile
MOLECULAR FORMULA: C9H6N4O2
MOLECULAR WEIGHT: 202.16954
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CC#N
Structure:
CAS RN: 5021-91-0
CAS Name: 4-[5,7-dichloro-2-(4-methyl-2-thiophenyl)-1H-indol-3-yl]-1-butanamine
OPENEYE Name: 4-[5,7-dichloro-2-(4-methyl-2-thienyl)-1H-indol-3-yl]butan-1-amine
IUPAC Name: 4-[5,7-dichloro-2-(4-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
SYSTEMATIC NAME: 4-[5,7-bis(chloranyl)-2-(4-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
MOLECULAR FORMULA: C17H18Cl2N2S
MOLECULAR WEIGHT: 353.30922
SMILES: CC1=CSC(=C1)C2=C(C3=CC(=CC(=C3N2)Cl)Cl)CCCCN
Structure:
CAS RN: 5844-77-9
CAS Name: 3-bromobenzoic acid (2,4-dibromo-6-formylphenyl) ester
OPENEYE Name: (2,4-dibromo-6-formyl-phenyl) 3-bromobenzoate
IUPAC Name: (2,4-dibromo-6-formylphenyl) 3-bromobenzoate
SYSTEMATIC NAME: [2,4-bis(bromanyl)-6-methanoyl-phenyl] 3-bromanylbenzoate
MOLECULAR FORMULA: C14H7Br3O3
MOLECULAR WEIGHT: 462.91558
SMILES: C1=CC(=CC(=C1)Br)C(=O)OC2=C(C=C(C=C2C=O)Br)Br
Structure:
CAS RN: 5841-71-4
CAS Name: benzoic acid [4-[[(4-oxo-2-thiazolyl)hydrazinylidene]methyl]phenyl] ester
OPENEYE Name: [4-[[(4-oxothiazol-2-yl)hydrazono]methyl]phenyl] benzoate
IUPAC Name: [4-[[(4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate
SYSTEMATIC NAME: [4-[[(4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate
MOLECULAR FORMULA: C17H13N3O3S
MOLECULAR WEIGHT: 339.36842
SMILES: C1C(=O)N=C(S1)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 5272-16-2
CAS Name: N'-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-nitro-N'-(1-oxo-2-phenylethyl)benzohydrazide
OPENEYE Name: N'-[1-(3-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide
IUPAC Name: N'-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide
SYSTEMATIC NAME: N'-[1-(3-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-N'-(2-phenylethanoyl)benzohydrazide
MOLECULAR FORMULA: C25H19FN4O6
MOLECULAR WEIGHT: 490.439963
SMILES: C1C(C(=O)N(C1=O)C2=CC(=CC=C2)F)N(C(=O)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 5372-77-0
CAS Name: 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)methylideneamino]acetamide
OPENEYE Name: 2-[(3-chloro-4-methoxy-phenyl)sulfonyl-methyl-amino]-N-[(4-ethylphenyl)methyleneamino]acetamide
IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-methyl-amino]-N-[(4-ethylphenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C19H22ClN3O4S
MOLECULAR WEIGHT: 423.91368
SMILES: CCC1=CC=C(C=C1)C=NNC(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)OC)Cl
Structure:
CAS RN: 5539-15-1
CAS Name: 2-cyano-3-[1-(3-cyano-4,5-dimethyl-2-thiophenyl)-2,5-dimethyl-3-pyrrolyl]-N-cyclohexyl-2-propenamide
OPENEYE Name: 2-cyano-3-[1-(3-cyano-4,5-dimethyl-2-thienyl)-2,5-dimethyl-pyrrol-3-yl]-N-cyclohexyl-prop-2-enamide
IUPAC Name: 2-cyano-3-[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylpyrrol-3-yl]-N-cyclohexylprop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-[1-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]-N-cyclohexyl-prop-2-enamide
MOLECULAR FORMULA: C23H26N4OS
MOLECULAR WEIGHT: 406.54374
SMILES: CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=C(C#N)C(=O)NC3CCCCC3
Structure:
CAS RN: 5329-69-1
CAS Name: 5-(2-methoxyphenyl)-7-methyl-2-[[5-nitro-2-(1-piperidinyl)phenyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-methoxyethyl ester
OPENEYE Name: 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-2-[[5-nitro-2-(1-piperidyl)phenyl]methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-2-[(5-nitro-2-piperidin-1-ylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: 2-methoxyethyl 5-(2-methoxyphenyl)-7-methyl-2-[(5-nitro-2-piperidin-1-yl-phenyl)methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C30H32N4O7S
MOLECULAR WEIGHT: 592.66268
SMILES: CC1=C(C(N2C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4)SC2=N1)C5=CC=CC=C5OC)C(=O)OCCOC
Structure:
CAS RN: 5530-90-5
CAS Name: 5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-[(3-ethoxy-5-iodo-4-methoxy-phenyl)methylene]-3-(4-methoxyphenyl)-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-[(3-ethoxy-5-iodanyl-4-methoxy-phenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C20H19IN2O4S
MOLECULAR WEIGHT: 510.34533
SMILES: CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N2)C3=CC=C(C=C3)OC)I)OC
Structure:
CAS RN: 5529-67-9
CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(4-methoxyanilino)-2-oxoethyl] ester
OPENEYE Name: [2-(4-methoxyanilino)-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate
IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
SYSTEMATIC NAME: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate
MOLECULAR FORMULA: C23H17ClN2O7
MOLECULAR WEIGHT: 468.84328
SMILES: COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 5571-44-8
CAS Name: 3-bromo-2-ethoxy-3,4-dihydro-2H-pyran-6-carboxamide
OPENEYE Name: 3-bromo-2-ethoxy-3,4-dihydro-2H-pyran-6-carboxamide
IUPAC Name: 3-bromo-2-ethoxy-3,4-dihydro-2H-pyran-6-carboxamide
SYSTEMATIC NAME: 3-bromanyl-2-ethoxy-3,4-dihydro-2H-pyran-6-carboxamide
MOLECULAR FORMULA: C8H12BrNO3
MOLECULAR WEIGHT: 250.08978
SMILES: CCOC1C(CC=C(O1)C(=O)N)Br
Structure:
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