CAS RN: 79257-48-0
CAS Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
OPENEYE Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
SYSTEMATIC NAME: (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
Structure:
CAS RN: 8024-37-1
CAS Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
OPENEYE Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
SYSTEMATIC NAME: (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
Structure:
CAS RN: 91884-86-5
CAS Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
OPENEYE Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
SYSTEMATIC NAME: (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
Structure:
CAS RN: 33414-30-1
CAS Name: 3-(4-methyl-1-piperazinyl)-1-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanone
OPENEYE Name: 3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
IUPAC Name: 3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
SYSTEMATIC NAME: 3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
MOLECULAR FORMULA: C21H22F3N3OS
MOLECULAR WEIGHT: 421.47909
SMILES: CN1CCN(CC1)CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
Structure:
CAS RN: 60-57-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H8Cl6O
MOLECULAR WEIGHT: 380.90932
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@]5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 6508-43-6
CAS Name: 2-[(9S)-3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl]-5,5-dimethylcyclohexane-1,3-dione
OPENEYE Name: 2-[(9S)-3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl]-5,5-dimethyl-cyclohexane-1,3-dione
IUPAC Name: 2-[(9S)-3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl]-5,5-dimethylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[(9S)-3,3-dimethyl-1-oxidanylidene-4,9-dihydro-2H-xanthen-9-yl]-5,5-dimethyl-cyclohexane-1,3-dione
MOLECULAR FORMULA: C23H26O4
MOLECULAR WEIGHT: 366.45014
SMILES: CC1(CC(=O)C(C(=O)C1)[C@H]2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)C
Structure:
CAS RN: 138729-47-2
CAS Name: 4-methyl-1-piperazinecarboxylic acid [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester
OPENEYE Name: [(7S)-6-(5-chloro-2-pyridyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
IUPAC Name: [(7S)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
SYSTEMATIC NAME: [(7S)-6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
MOLECULAR FORMULA: C17H17ClN6O3
MOLECULAR WEIGHT: 388.80828
SMILES: CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl
Structure:
CAS RN: 98069-56-8
CAS Name: cyclobutanecarbohydrazide
OPENEYE Name: cyclobutanecarbohydrazide
IUPAC Name: cyclobutanecarbohydrazide
SYSTEMATIC NAME: cyclobutanecarbohydrazide
MOLECULAR FORMULA: C5H10N2O
MOLECULAR WEIGHT: 114.1457
SMILES: C1CC(C1)C(=O)NN
Structure:
CAS RN: 4518-24-5
CAS Name: 3-bromo-N'-(1-oxo-3-phenylpropyl)benzohydrazide
OPENEYE Name: 3-bromo-N'-(3-phenylpropanoyl)benzohydrazide
IUPAC Name: 3-bromo-N'-(3-phenylpropanoyl)benzohydrazide
SYSTEMATIC NAME: 3-bromanyl-N'-(3-phenylpropanoyl)benzohydrazide
MOLECULAR FORMULA: C16H15BrN2O2
MOLECULAR WEIGHT: 347.2065
SMILES: C1=CC=C(C=C1)CCC(=O)NNC(=O)C2=CC(=CC=C2)Br
Structure:
CAS RN: 181136-33-4
CAS Name: 3-bromo-4-methoxybenzohydrazide
OPENEYE Name: 3-bromo-4-methoxy-benzohydrazide
IUPAC Name: 3-bromo-4-methoxybenzohydrazide
SYSTEMATIC NAME: 3-bromanyl-4-methoxy-benzohydrazide
MOLECULAR FORMULA: C8H9BrN2O2
MOLECULAR WEIGHT: 245.07326
SMILES: COC1=C(C=C(C=C1)C(=O)NN)Br
Structure:
CAS RN: 6153-24-8
CAS Name: (E)-N-[(4-acetamidoanilino)-sulfanylidenemethyl]-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-[(4-acetamidophenyl)carbamothioyl]-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-[(4-acetamidophenyl)carbamothioyl]-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-[(4-acetamidophenyl)carbamothioyl]-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C18H17N3O2S
MOLECULAR WEIGHT: 339.41148
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 443905-53-1
CAS Name: 2-(4-propan-2-ylphenoxy)acetohydrazide
OPENEYE Name: 2-(4-isopropylphenoxy)acetohydrazide
IUPAC Name: 2-(4-propan-2-ylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-propan-2-ylphenoxy)ethanehydrazide
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: CC(C)C1=CC=C(C=C1)OCC(=O)NN
Structure:
CAS RN: 2644-94-2
CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxaldehyde
OPENEYE Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carbaldehyde
IUPAC Name: 1-benzyl-3,5-dimethylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C13H14N2O
MOLECULAR WEIGHT: 214.26306
SMILES: CC1=C(C(=NN1CC2=CC=CC=C2)C)C=O
Structure:
CAS RN: 3815-31-4
CAS Name: (E)-4-(4-bromophenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(4-bromophenyl)but-3-en-2-one
IUPAC Name: (E)-4-(4-bromophenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(4-bromophenyl)but-3-en-2-one
MOLECULAR FORMULA: C10H9BrO
MOLECULAR WEIGHT: 225.08186
SMILES: CC(=O)/C=C/C1=CC=C(C=C1)Br
Structure:
CAS RN: 110254-63-2
CAS Name: 4-chloro-1-phenyl-2-quinolinone
OPENEYE Name: 4-chloro-1-phenyl-quinolin-2-one
IUPAC Name: 4-chloro-1-phenylquinolin-2-one
SYSTEMATIC NAME: 4-chloranyl-1-phenyl-quinolin-2-one
MOLECULAR FORMULA: C15H10ClNO
MOLECULAR WEIGHT: 255.699
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=CC2=O)Cl
Structure:
CAS RN: 60032-63-5
CAS Name: 4-hydroxy-3-iodobenzaldehyde
OPENEYE Name: 4-hydroxy-3-iodo-benzaldehyde
IUPAC Name: 4-hydroxy-3-iodobenzaldehyde
SYSTEMATIC NAME: 3-iodanyl-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H5IO2
MOLECULAR WEIGHT: 248.01787
SMILES: C1=CC(=C(C=C1C=O)I)O
Structure:
CAS RN: 24589-89-7
CAS Name: 2-(4-bromo-2-formylphenoxy)acetic acid
OPENEYE Name: 2-(4-bromo-2-formyl-phenoxy)acetic acid
IUPAC Name: 2-(4-bromo-2-formylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-bromanyl-2-methanoyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C9H7BrO4
MOLECULAR WEIGHT: 259.05348
SMILES: C1=CC(=C(C=C1Br)C=O)OCC(=O)O
Structure:
CAS RN: 7061-39-4
CAS Name: 2-cyano-N-methyl-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)-2-propenamide
OPENEYE Name: 2-cyano-N-methyl-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enamide
IUPAC Name: 2-cyano-N-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-N-methyl-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C19H15N5O
MOLECULAR WEIGHT: 329.3553
SMILES: CNC(=O)C(=CC1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3)C#N
Structure:
CAS RN: 57676-54-7
CAS Name: 2-(4-methylphenyl)acetohydrazide
OPENEYE Name: 2-(p-tolyl)acetohydrazide
IUPAC Name: 2-(4-methylphenyl)acetohydrazide
SYSTEMATIC NAME: 2-(4-methylphenyl)ethanehydrazide
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CC1=CC=C(C=C1)CC(=O)NN
Structure:
CAS RN: 69173-20-2
CAS Name: 3-chloro-4-methoxybenzenesulfonamide
OPENEYE Name: 3-chloro-4-methoxy-benzenesulfonamide
IUPAC Name: 3-chloro-4-methoxybenzenesulfonamide
SYSTEMATIC NAME: 3-chloranyl-4-methoxy-benzenesulfonamide
MOLECULAR FORMULA: C7H8ClNO3S
MOLECULAR WEIGHT: 221.66132
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)Cl
Structure:
CAS RN: 3695-95-2
CAS Name: (Z)-2-(4-nitrophenyl)-3-phenyl-2-propenenitrile
OPENEYE Name: (Z)-2-(4-nitrophenyl)-3-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-2-(4-nitrophenyl)-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-nitrophenyl)-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 1822-94-2
CAS Name: 5-(chloromethyl)-3-phenyl-1,2,4-oxadiazole
OPENEYE Name: 5-(chloromethyl)-3-phenyl-1,2,4-oxadiazole
IUPAC Name: 5-(chloromethyl)-3-phenyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(chloromethyl)-3-phenyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C9H7ClN2O
MOLECULAR WEIGHT: 194.61768
SMILES: C1=CC=C(C=C1)C2=NOC(=N2)CCl
Structure:
CAS RN: 5856-29-1
CAS Name: N-(3-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
OPENEYE Name: N-(3-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
IUPAC Name: N-(3-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
SYSTEMATIC NAME: N-(3-cyanophenyl)-2-(2,4-dimethylphenoxy)ethanamide
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C#N)C
Structure:
CAS RN: 59746-67-7
CAS Name: (4-tert-butylphenyl)-(1-piperidinyl)methanone
OPENEYE Name: (4-tert-butylphenyl)-(1-piperidyl)methanone
IUPAC Name: (4-tert-butylphenyl)-piperidin-1-ylmethanone
SYSTEMATIC NAME: (4-tert-butylphenyl)-piperidin-1-yl-methanone
MOLECULAR FORMULA: C16H23NO
MOLECULAR WEIGHT: 245.35992
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCCC2
Structure:
CAS RN: 5849-08-1
CAS Name: 4-benzoyl-1H-imidazole-5-carboxamide
OPENEYE Name: 4-benzoyl-1H-imidazole-5-carboxamide
IUPAC Name: 4-benzoyl-1H-imidazole-5-carboxamide
SYSTEMATIC NAME: 4-(phenylcarbonyl)-1H-imidazole-5-carboxamide
MOLECULAR FORMULA: C11H9N3O2
MOLECULAR WEIGHT: 215.20806
SMILES: C1=CC=C(C=C1)C(=O)C2=C(NC=N2)C(=O)N
Structure:
CAS RN: 6384-80-1
CAS Name: 3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)-2-propenamide
OPENEYE Name: 3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
IUPAC Name: 3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
SYSTEMATIC NAME: N-[3,5-bis(chloranyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
MOLECULAR FORMULA: C15H10Cl3NO
MOLECULAR WEIGHT: 326.605
SMILES: C1=CC=C(C(=C1)C=CC(=O)NC2=CC(=CC(=C2)Cl)Cl)Cl
Structure:
CAS RN: 42174-99-2
CAS Name: (E)-3-(2-chlorophenyl)-N,N-dimethyl-2-propenamide
OPENEYE Name: (E)-3-(2-chlorophenyl)-N,N-dimethyl-prop-2-enamide
IUPAC Name: (E)-3-(2-chlorophenyl)-N,N-dimethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)-N,N-dimethyl-prop-2-enamide
MOLECULAR FORMULA: C11H12ClNO
MOLECULAR WEIGHT: 209.67208
SMILES: CN(C)C(=O)/C=C/C1=CC=CC=C1Cl
Structure:
CAS RN: 40951-04-0
CAS Name: (E)-3-(2-chlorophenyl)-N,N-diethyl-2-propenamide
OPENEYE Name: (E)-3-(2-chlorophenyl)-N,N-diethyl-prop-2-enamide
IUPAC Name: (E)-3-(2-chlorophenyl)-N,N-diethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)-N,N-diethyl-prop-2-enamide
MOLECULAR FORMULA: C13H16ClNO
MOLECULAR WEIGHT: 237.72524
SMILES: CCN(CC)C(=O)/C=C/C1=CC=CC=C1Cl
Structure:
CAS RN: 57184-25-5
CAS Name: 1-(cyclopropylmethyl)piperazine
OPENEYE Name: 1-(cyclopropylmethyl)piperazine
IUPAC Name: 1-(cyclopropylmethyl)piperazine
SYSTEMATIC NAME: 1-(cyclopropylmethyl)piperazine
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: C1CC1CN2CCNCC2
Structure:
CAS RN: 138479-47-7
CAS Name: 2-(1-pyrazolyl)benzaldehyde
OPENEYE Name: 2-pyrazol-1-ylbenzaldehyde
IUPAC Name: 2-pyrazol-1-ylbenzaldehyde
SYSTEMATIC NAME: 2-pyrazol-1-ylbenzaldehyde
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: C1=CC=C(C(=C1)C=O)N2C=CC=N2
Structure:
CAS RN: 5392-23-4
CAS Name: 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
OPENEYE Name: 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
IUPAC Name: 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
SYSTEMATIC NAME: 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
MOLECULAR FORMULA: C7H12N2S
MOLECULAR WEIGHT: 156.24858
SMILES: CC1=CC(NC(=S)N1)(C)C
Structure:
CAS RN: 5778-17-6
CAS Name: 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
OPENEYE Name: 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
IUPAC Name: 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
SYSTEMATIC NAME: 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
MOLECULAR FORMULA: C7H12N2S
MOLECULAR WEIGHT: 156.24858
SMILES: CC1=CC(NC(=S)N1)(C)C
Structure:
CAS RN: 77822-83-4
CAS Name: N-(1,3-benzodioxol-5-yl)-1-(5-methyl-2-thiophenyl)methanimine
OPENEYE Name: N-(1,3-benzodioxol-5-yl)-1-(5-methyl-2-thienyl)methanimine
IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)methanimine
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)methanimine
MOLECULAR FORMULA: C13H11NO2S
MOLECULAR WEIGHT: 245.29694
SMILES: CC1=CC=C(S1)C=NC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 83671-43-6
CAS Name: N,N-dimethyl-4-(methylaminomethyl)aniline
OPENEYE Name: N,N-dimethyl-4-(methylaminomethyl)aniline
IUPAC Name: N,N-dimethyl-4-(methylaminomethyl)aniline
SYSTEMATIC NAME: N,N-dimethyl-4-(methylaminomethyl)aniline
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CNCC1=CC=C(C=C1)N(C)C
Structure:
CAS RN: 6332-19-0
CAS Name: 8-methyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-triazaspiro[4.5]decane-2-thione
OPENEYE Name: 8-methyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-triazaspiro[4.5]decane-2-thione
IUPAC Name: 8-methyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-triazaspiro[4.5]decane-2-thione
SYSTEMATIC NAME: 8-methyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-triazaspiro[4.5]decane-2-thione
MOLECULAR FORMULA: C15H18F3N3S
MOLECULAR WEIGHT: 329.38373
SMILES: CC1CCC2(CC1)NC(=S)N(N2)C3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 457-97-6
CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid
OPENEYE Name: 3-[(4-fluorophenyl)methoxy]benzoic acid
IUPAC Name: 3-[(4-fluorophenyl)methoxy]benzoic acid
SYSTEMATIC NAME: 3-[(4-fluorophenyl)methoxy]benzoic acid
MOLECULAR FORMULA: C14H11FO3
MOLECULAR WEIGHT: 246.233743
SMILES: C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)C(=O)O
Structure:
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