CAS RN: 174573-90-1
CAS Name: 3-(3-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(3-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C15H13N3OS
MOLECULAR WEIGHT: 283.34822
SMILES: COC1=CC=CC(=C1)C2=NNC(=S)N2C3=CC=CC=C3
Structure:
CAS RN: 3743-90-6
CAS Name: 1-(4-bromophenyl)-3-(4-methylanilino)-1-propanone
OPENEYE Name: 1-(4-bromophenyl)-3-(4-methylanilino)propan-1-one
IUPAC Name: 1-(4-bromophenyl)-3-(4-methylanilino)propan-1-one
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-[(4-methylphenyl)amino]propan-1-one
MOLECULAR FORMULA: C16H16BrNO
MOLECULAR WEIGHT: 318.20834
SMILES: CC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 2816-87-7
CAS Name: 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone
OPENEYE Name: 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone
IUPAC Name: 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-[(4-chlorophenyl)amino]ethanone
MOLECULAR FORMULA: C14H11BrClNO
MOLECULAR WEIGHT: 324.60024
SMILES: C1=CC(=CC=C1C(=O)CNC2=CC=C(C=C2)Cl)Br
Structure:
CAS RN: 36640-50-3
CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxaldehyde
OPENEYE Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carbaldehyde
IUPAC Name: 1-phenyl-3-pyridin-3-ylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 1-phenyl-3-pyridin-3-yl-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C15H11N3O
MOLECULAR WEIGHT: 249.26734
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=O
Structure:
CAS RN: 596-33-8
CAS Name: (E)-N-(3-chlorophenyl)-2-cyano-3-(3-pyridinyl)-2-propenamide
OPENEYE Name: (E)-N-(3-chlorophenyl)-2-cyano-3-(3-pyridyl)prop-2-enamide
IUPAC Name: (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-3-yl-prop-2-enamide
MOLECULAR FORMULA: C15H10ClN3O
MOLECULAR WEIGHT: 283.7124
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)/C(=C/C2=CN=CC=C2)/C#N
Structure:
CAS RN: 59609-46-0
CAS Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(1H-indol-3-yl)-2-propenamide
OPENEYE Name: (E)-N-(3-chloro-2-methyl-phenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
IUPAC Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
MOLECULAR FORMULA: C19H14ClN3O
MOLECULAR WEIGHT: 335.78696
SMILES: CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N
Structure:
CAS RN: 5905-75-9
CAS Name: 5-(4-bromophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
OPENEYE Name: 5-(4-bromophenyl)-3-(4-pyridyl)-1,2,4-oxadiazole
IUPAC Name: 5-(4-bromophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(4-bromophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
MOLECULAR FORMULA: C13H8BrN3O
MOLECULAR WEIGHT: 302.12612
SMILES: C1=CC(=CC=C1C2=NC(=NO2)C3=CC=NC=C3)Br
Structure:
CAS RN: 59507-52-7
CAS Name: (5E)-1-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: (5E)-1-(p-tolyl)-5-(p-tolylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: (5E)-1-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: (5E)-1-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C19H16N2O2S
MOLECULAR WEIGHT: 336.40754
SMILES: CC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 423156-83-6
CAS Name: 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
OPENEYE Name: 3-[(4-chlorophenyl)methoxy]-4-methoxy-benzaldehyde
IUPAC Name: 3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
SYSTEMATIC NAME: 3-[(4-chlorophenyl)methoxy]-4-methoxy-benzaldehyde
MOLECULAR FORMULA: C15H13ClO3
MOLECULAR WEIGHT: 276.71492
SMILES: COC1=C(C=C(C=C1)C=O)OCC2=CC=C(C=C2)Cl
Structure:
CAS RN: 59365-61-6
CAS Name: (4Z)-2-(3-fluorophenyl)-4-[[3-(2-methylprop-2-enoxy)phenyl]methylidene]-5-oxazolone
OPENEYE Name: (4Z)-2-(3-fluorophenyl)-4-[[3-(2-methylallyloxy)phenyl]methylene]oxazol-5-one
IUPAC Name: (4Z)-2-(3-fluorophenyl)-4-[[3-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-2-(3-fluorophenyl)-4-[[3-(2-methylprop-2-enoxy)phenyl]methylidene]-1,3-oxazol-5-one
MOLECULAR FORMULA: C20H16FNO3
MOLECULAR WEIGHT: 337.344343
SMILES: CC(=C)COC1=CC=CC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=CC=C3)F
Structure:
CAS RN: 423154-81-8
CAS Name: 1-[(3-bromophenyl)methyl]piperazine
OPENEYE Name: 1-[(3-bromophenyl)methyl]piperazine
IUPAC Name: 1-[(3-bromophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(3-bromophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15BrN2
MOLECULAR WEIGHT: 255.1542
SMILES: C1CN(CCN1)CC2=CC(=CC=C2)Br
Structure:
CAS RN: 59219-76-0
CAS Name: (E)-N-(4-acetamidophenyl)-3-(4-methylphenyl)-2-propenamide
OPENEYE Name: (E)-N-(4-acetamidophenyl)-3-(p-tolyl)prop-2-enamide
IUPAC Name: (E)-N-(4-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)NC(=O)C
Structure:
CAS RN: 592-06-3
CAS Name: (4E)-4-[(2-ethoxy-3-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: (4E)-4-[(2-ethoxy-3-methoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: (4E)-4-[(2-ethoxy-3-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: (4E)-4-[(2-ethoxy-3-methoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: CCOC1=C(C=CC=C1OC)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3
Structure:
CAS RN: 5919-89-1
CAS Name: (E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-propenamide
OPENEYE Name: (E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
IUPAC Name: (E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C19H15N3O2
MOLECULAR WEIGHT: 317.3413
SMILES: COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N
Structure:
CAS RN: 39640-04-5
CAS Name: 1-piperazinyl(pyridin-4-yl)methanone
OPENEYE Name: piperazin-1-yl(4-pyridyl)methanone
IUPAC Name: piperazin-1-yl(pyridin-4-yl)methanone
SYSTEMATIC NAME: piperazin-1-yl(pyridin-4-yl)methanone
MOLECULAR FORMULA: C10H13N3O
MOLECULAR WEIGHT: 191.22972
SMILES: C1CN(CCN1)C(=O)C2=CC=NC=C2
Structure:
CAS RN: 5910-47-4
CAS Name: (E)-2-cyano-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-2-propenamide
OPENEYE Name: (E)-2-cyano-3-(4-fluorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
IUPAC Name: (E)-2-cyano-3-(4-fluorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-(4-fluorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C17H13FN2O2
MOLECULAR WEIGHT: 296.295723
SMILES: COC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)F)/C#N
Structure:
CAS RN: 150536-08-6
CAS Name: 2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate
IUPAC Name: ethyl 2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate
SYSTEMATIC NAME: ethyl 2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]ethanoate
MOLECULAR FORMULA: C14H13ClN4O2S
MOLECULAR WEIGHT: 336.79662
SMILES: CCOC(=O)CC1=NN2C(=NN=C2SC1)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 91345-62-9
CAS Name: 1-[(4-bromophenyl)methyl]piperazine
OPENEYE Name: 1-[(4-bromophenyl)methyl]piperazine
IUPAC Name: 1-[(4-bromophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(4-bromophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15BrN2
MOLECULAR WEIGHT: 255.1542
SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Br
Structure:
CAS RN: 92267-23-7
CAS Name: 1-[(4-bromophenyl)methyl]piperazine
OPENEYE Name: 1-[(4-bromophenyl)methyl]piperazine
IUPAC Name: 1-[(4-bromophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(4-bromophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15BrN2
MOLECULAR WEIGHT: 255.1542
SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Br
Structure:
CAS RN: 5862-39-5
CAS Name: 1-[(4-bromophenyl)methyl]piperazine
OPENEYE Name: 1-[(4-bromophenyl)methyl]piperazine
IUPAC Name: 1-[(4-bromophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(4-bromophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15BrN2
MOLECULAR WEIGHT: 255.1542
SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Br
Structure:
CAS RN: 148183-89-5
CAS Name: 2-(2,4-dimethylphenoxy)-1-(1-pyrrolidinyl)ethanone
OPENEYE Name: 2-(2,4-dimethylphenoxy)-1-pyrrolidin-1-yl-ethanone
IUPAC Name: 2-(2,4-dimethylphenoxy)-1-pyrrolidin-1-ylethanone
SYSTEMATIC NAME: 2-(2,4-dimethylphenoxy)-1-pyrrolidin-1-yl-ethanone
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CC1=CC(=C(C=C1)OCC(=O)N2CCCC2)C
Structure:
CAS RN: 148183-90-8
CAS Name: 2-(2,4-dimethylphenoxy)-1-(4-morpholinyl)ethanone
OPENEYE Name: 2-(2,4-dimethylphenoxy)-1-morpholino-ethanone
IUPAC Name: 2-(2,4-dimethylphenoxy)-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CC1=CC(=C(C=C1)OCC(=O)N2CCOCC2)C
Structure:
CAS RN: 93-29-8
CAS Name: acetic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester
OPENEYE Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
IUPAC Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
SYSTEMATIC NAME: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ethanoate
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: C/C=C/C1=CC(=C(C=C1)OC(=O)C)OC
Structure:
CAS RN: 58902-53-7
CAS Name: 3-ethoxy-N-(3-methoxyphenyl)benzamide
OPENEYE Name: 3-ethoxy-N-(3-methoxyphenyl)benzamide
IUPAC Name: 3-ethoxy-N-(3-methoxyphenyl)benzamide
SYSTEMATIC NAME: 3-ethoxy-N-(3-methoxyphenyl)benzamide
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CCOC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC
Structure:
CAS RN: 90815-00-2
CAS Name: 1-[(2-chlorophenyl)methyl]-3-indolecarboxaldehyde
OPENEYE Name: 1-[(2-chlorophenyl)methyl]indole-3-carbaldehyde
IUPAC Name: 1-[(2-chlorophenyl)methyl]indole-3-carbaldehyde
SYSTEMATIC NAME: 1-[(2-chlorophenyl)methyl]indole-3-carbaldehyde
MOLECULAR FORMULA: C16H12ClNO
MOLECULAR WEIGHT: 269.72558
SMILES: C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=O)Cl
Structure:
CAS RN: 58812-65-0
CAS Name: (4Z)-1-(3-chloro-4-fluorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
OPENEYE Name: (4Z)-1-(3-chloro-4-fluoro-phenyl)-4-[(4-methoxyphenyl)methylene]pyrazolidine-3,5-dione
IUPAC Name: (4Z)-1-(3-chloro-4-fluorophenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
SYSTEMATIC NAME: (4Z)-1-(3-chloranyl-4-fluoranyl-phenyl)-4-[(4-methoxyphenyl)methylidene]pyrazolidine-3,5-dione
MOLECULAR FORMULA: C17H12ClFN2O3
MOLECULAR WEIGHT: 346.740183
SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC(=C(C=C3)F)Cl
Structure:
CAS RN: 6195-66-0
CAS Name: 4-[[(4-morpholinylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(morpholinocarbamothioylamino)benzoate
IUPAC Name: ethyl 4-(morpholin-4-ylcarbamothioylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(morpholin-4-ylcarbamothioylamino)benzoate
MOLECULAR FORMULA: C14H19N3O3S
MOLECULAR WEIGHT: 309.38396
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CCOCC2
Structure:
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