CAS RN: 32427-77-3
CAS Name: 1-(5-chloro-2-thiophenyl)-1-butanone
OPENEYE Name: 1-(5-chloro-2-thienyl)butan-1-one
IUPAC Name: 1-(5-chlorothiophen-2-yl)butan-1-one
SYSTEMATIC NAME: 1-(5-chloranylthiophen-2-yl)butan-1-one
MOLECULAR FORMULA: C8H9ClOS
MOLECULAR WEIGHT: 188.67446
SMILES: CCCC(=O)C1=CC=C(S1)Cl
Structure:
CAS RN: 6047-67-2
CAS Name: (2Z)-2-[(4-hydroxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
OPENEYE Name: (2Z)-2-[(4-hydroxyphenyl)methylene]quinuclidin-3-one
IUPAC Name: (2Z)-2-[(4-hydroxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
SYSTEMATIC NAME: (2Z)-2-[(4-hydroxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: C1CN\2CCC1C(=O)/C2=C/C3=CC=C(C=C3)O
Structure:
CAS RN: 354539-62-1
CAS Name: 1-[4-(2-methylpropoxy)phenyl]-1-propanone
OPENEYE Name: 1-(4-isobutoxyphenyl)propan-1-one
IUPAC Name: 1-[4-(2-methylpropoxy)phenyl]propan-1-one
SYSTEMATIC NAME: 1-[4-(2-methylpropoxy)phenyl]propan-1-one
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(C)C
Structure:
CAS RN: 6132-32-7
CAS Name: 2-(2,5-dimethylphenyl)-3-methyl-4-quinolinecarboxylic acid
OPENEYE Name: 2-(2,5-dimethylphenyl)-3-methyl-quinoline-4-carboxylic acid
IUPAC Name: 2-(2,5-dimethylphenyl)-3-methylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(2,5-dimethylphenyl)-3-methyl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)O
Structure:
CAS RN: 5267-32-3
CAS Name: 1-(4-chloro-3-nitrophenyl)-N-(2,4-dimethylphenyl)methanimine
OPENEYE Name: 1-(4-chloro-3-nitro-phenyl)-N-(2,4-dimethylphenyl)methanimine
IUPAC Name: 1-(4-chloro-3-nitrophenyl)-N-(2,4-dimethylphenyl)methanimine
SYSTEMATIC NAME: 1-(4-chloranyl-3-nitro-phenyl)-N-(2,4-dimethylphenyl)methanimine
MOLECULAR FORMULA: C15H13ClN2O2
MOLECULAR WEIGHT: 288.72892
SMILES: CC1=CC(=C(C=C1)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C
Structure:
CAS RN: 75483-05-5
CAS Name: 2-hydroxy-1-methyl-N-(4-methylphenyl)-4-oxo-3-quinolinecarboxamide
OPENEYE Name: 2-hydroxy-1-methyl-4-oxo-N-(p-tolyl)quinoline-3-carboxamide
IUPAC Name: 2-hydroxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
SYSTEMATIC NAME: 1-methyl-N-(4-methylphenyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)C)O
Structure:
CAS RN: 5944-69-4
CAS Name: 2-[(2-hydroxy-4,5-dimethylphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(2-hydroxy-4,5-dimethyl-benzoyl)benzoic acid
IUPAC Name: 2-(2-hydroxy-4,5-dimethylbenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(4,5-dimethyl-2-oxidanyl-phenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: CC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2C(=O)O)O)C
Structure:
CAS RN: 5534-62-3
CAS Name: 1-ethyl-2-hydroxy-N-(3-hydroxyphenyl)-4-oxo-3-quinolinecarboxamide
OPENEYE Name: 1-ethyl-2-hydroxy-N-(3-hydroxyphenyl)-4-oxo-quinoline-3-carboxamide
IUPAC Name: 1-ethyl-2-hydroxy-N-(3-hydroxyphenyl)-4-oxoquinoline-3-carboxamide
SYSTEMATIC NAME: 1-ethyl-N-(3-hydroxyphenyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC(=CC=C3)O
Structure:
CAS RN: 6196-97-0
CAS Name: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone
OPENEYE Name: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
IUPAC Name: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
MOLECULAR FORMULA: C11H10BrN3OS
MOLECULAR WEIGHT: 312.1856
SMILES: CC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 94110-12-0
CAS Name: 2-(2,4-dimethylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
OPENEYE Name: 2-(2,4-dimethylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione
IUPAC Name: 2-(2,4-dimethylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)-6-nitro-benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C20H14N2O4
MOLECULAR WEIGHT: 346.33616
SMILES: CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C
Structure:
CAS RN: 5487-92-3
CAS Name: N-(4-chloro-3-nitrophenyl)-1-hydroxy-2-naphthalenecarboxamide
OPENEYE Name: N-(4-chloro-3-nitro-phenyl)-1-hydroxy-naphthalene-2-carboxamide
IUPAC Name: N-(4-chloro-3-nitrophenyl)-1-hydroxynaphthalene-2-carboxamide
SYSTEMATIC NAME: N-(4-chloranyl-3-nitro-phenyl)-1-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C17H11ClN2O4
MOLECULAR WEIGHT: 342.73324
SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 1047-63-8
CAS Name: 2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
OPENEYE Name: 2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
SYSTEMATIC NAME: 2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
MOLECULAR FORMULA: C20H14N4
MOLECULAR WEIGHT: 310.35196
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=NC5=CC=CC=C5N4
Structure:
CAS RN: 5180-30-3
CAS Name: 4,6-bis(1-piperidinyl)benzene-1,3-diamine
OPENEYE Name: 4,6-bis(1-piperidyl)benzene-1,3-diamine
IUPAC Name: 4,6-di(piperidin-1-yl)benzene-1,3-diamine
SYSTEMATIC NAME: 4,6-di(piperidin-1-yl)benzene-1,3-diamine
MOLECULAR FORMULA: C16H26N4
MOLECULAR WEIGHT: 274.40444
SMILES: C1CCN(CC1)C2=CC(=C(C=C2N)N)N3CCCCC3
Structure:
CAS RN: 42388-61-4
CAS Name: (1E,4E)-1,5-bis(2-methoxyphenyl)-3-penta-1,4-dienone
OPENEYE Name: (1E,4E)-1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one
IUPAC Name: (1E,4E)-1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one
SYSTEMATIC NAME: (1E,4E)-1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one
MOLECULAR FORMULA: C19H18O3
MOLECULAR WEIGHT: 294.34442
SMILES: COC1=CC=CC=C1/C=C/C(=O)/C=C/C2=CC=CC=C2OC
Structure:
CAS RN: 6432-78-6
CAS Name: 3-(4-chlorophenyl)-2-[(3-chlorophenyl)hydrazinylidene]-3-oxopropanenitrile
OPENEYE Name: N-(3-chloroanilino)-2-(4-chlorophenyl)-2-oxo-acetimidoyl cyanide
IUPAC Name: N-(3-chloroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
SYSTEMATIC NAME: 3-(4-chlorophenyl)-2-[(3-chlorophenyl)hydrazinylidene]-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C15H9Cl2N3O
MOLECULAR WEIGHT: 318.15746
SMILES: C1=CC(=CC(=C1)Cl)NN=C(C#N)C(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 6432-52-6
CAS Name: N-(2-chlorophenyl)-2-methyl-3-quinolinecarboxamide
OPENEYE Name: N-(2-chlorophenyl)-2-methyl-quinoline-3-carboxamide
IUPAC Name: N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-methyl-quinoline-3-carboxamide
MOLECULAR FORMULA: C17H13ClN2O
MOLECULAR WEIGHT: 296.75092
SMILES: CC1=NC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3Cl
Structure:
CAS RN: 43061-75-2
CAS Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
OPENEYE Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide
IUPAC Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide
SYSTEMATIC NAME: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C19H19N2OS+
MOLECULAR WEIGHT: 323.43196
SMILES: CC[N+]1=C(SC2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C
Structure:
CAS RN: 3458-03-5
CAS Name: 5-(2-pyrazinyl)-1,2-dihydro-1,2,4-triazole-3-thione
OPENEYE Name: 5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione
IUPAC Name: 5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C6H5N5S
MOLECULAR WEIGHT: 179.2024
SMILES: C1=CN=C(C=N1)C2=NC(=S)NN2
Structure:
CAS RN: 5561-76-2
CAS Name: (1E,4Z)-5-amino-6,6,6-trifluoro-1-(2-furanyl)-3-hexa-1,4-dienone
OPENEYE Name: (1E,4Z)-5-amino-6,6,6-trifluoro-1-(2-furyl)hexa-1,4-dien-3-one
IUPAC Name: (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one
SYSTEMATIC NAME: (1E,4Z)-5-azanyl-6,6,6-tris(fluoranyl)-1-(furan-2-yl)hexa-1,4-dien-3-one
MOLECULAR FORMULA: C10H8F3NO2
MOLECULAR WEIGHT: 231.17123
SMILES: C1=COC(=C1)/C=C/C(=O)/C=C(/C(F)(F)F)\N
Structure:
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