CAS RN: 5313-81-5
CAS Name: 1-(4-bromophenyl)-2-(3-methyl-1-pyridin-1-iumyl)ethanone bromide
OPENEYE Name: 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide
IUPAC Name: 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide
MOLECULAR FORMULA: C14H13Br2NO
MOLECULAR WEIGHT: 371.06712
SMILES: CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-]
Structure:
CAS RN: 6299-99-6
CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-phenylethanone bromide
OPENEYE Name: 2-(3-bromopyridin-1-ium-1-yl)-1-phenyl-ethanone bromide
IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-phenylethanone bromide
SYSTEMATIC NAME: 2-(3-bromanylpyridin-1-ium-1-yl)-1-phenyl-ethanone bromide
MOLECULAR FORMULA: C13H11Br2NO
MOLECULAR WEIGHT: 357.04054
SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-]
Structure:
CAS RN: 5312-75-4
CAS Name: 2-(N-[(4-benzoylphenyl)-oxomethyl]-2,6-dimethylanilino)propanoic acid methyl ester
OPENEYE Name: methyl 2-(N-(4-benzoylbenzoyl)-2,6-dimethyl-anilino)propanoate
IUPAC Name: methyl 2-(N-(4-benzoylbenzoyl)-2,6-dimethylanilino)propanoate
SYSTEMATIC NAME: methyl 2-[(2,6-dimethylphenyl)-[4-(phenylcarbonyl)phenyl]carbonyl-amino]propanoate
MOLECULAR FORMULA: C26H25NO4
MOLECULAR WEIGHT: 415.481
SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 5312-37-8
CAS Name: 4-(2-chlorophenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile
OPENEYE Name: 6-benzylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
IUPAC Name: 6-benzylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SYSTEMATIC NAME: 4-(2-chlorophenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
MOLECULAR FORMULA: C19H15ClN2OS
MOLECULAR WEIGHT: 354.8532
SMILES: C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl
Structure:
CAS RN: 5312-11-8
CAS Name: N-(4-chlorophenyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanamide
OPENEYE Name: N-(4-chlorophenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide
IUPAC Name: N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-chlorophenyl)-4-methyl-pentanamide
MOLECULAR FORMULA: C20H19ClN2O3
MOLECULAR WEIGHT: 370.82946
SMILES: CC(C)CC(C(=O)NC1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5311-41-1
CAS Name: 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
IUPAC Name: ethyl 8-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SYSTEMATIC NAME: ethyl 8-oxidanyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: CCOC(=O)C1=CC2=C(C=C1)NC3=C2CCCC3O
Structure:
CAS RN: 5311-12-6
CAS Name: 2-[6-ethoxy-1-[(2-fluorophenyl)-oxomethyl]-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2-[6-ethoxy-1-(2-fluorobenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate
IUPAC Name: dimethyl 2-[6-ethoxy-1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[6-ethoxy-1-(2-fluorophenyl)carbonyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
MOLECULAR FORMULA: C27H24FNO6S3
MOLECULAR WEIGHT: 573.675963
SMILES: CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=CC=C4F
Structure:
CAS RN: 5310-86-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H18N2O3S
MOLECULAR WEIGHT: 354.42282
SMILES: CCOC(=O)C1CCCN2C1=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4
Structure:
CAS RN: 5310-76-9
CAS Name: 4-methyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxolane
OPENEYE Name: 4-methyl-2-(1,1,4,8-tetramethylnona-2,3,7-trienyl)-1,3-dioxolane
IUPAC Name: 4-methyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxolane
SYSTEMATIC NAME: 4-methyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxolane
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CC1COC(O1)C(C)(C)C=C=C(C)CCC=C(C)C
Structure:
CAS RN: 5310-08-7
CAS Name: 2-[1-[(3-fluorophenyl)-oxomethyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate
IUPAC Name: dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[1-(3-fluorophenyl)carbonyl-6-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
MOLECULAR FORMULA: C26H22FNO6S3
MOLECULAR WEIGHT: 559.649383
SMILES: CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC(=CC=C4)F)C=CC(=C3)OC)C
Structure:
CAS RN: 5309-99-9
CAS Name: [1,2-bis(propylsulfonyl)-3-pyrrolo[2,1-a]isoquinolinyl]-(2,4-dimethylphenyl)methanone
OPENEYE Name: [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-(2,4-dimethylphenyl)methanone
IUPAC Name: [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-(2,4-dimethylphenyl)methanone
SYSTEMATIC NAME: [1,2-bis(propylsulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]-(2,4-dimethylphenyl)methanone
MOLECULAR FORMULA: C27H29NO5S2
MOLECULAR WEIGHT: 511.65286
SMILES: CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)C4=C(C=C(C=C4)C)C
Structure:
CAS RN: 5309-79-5
CAS Name: 2-amino-4-(2,3-dimethoxyphenyl)-4H-benzo[h][1]benzopyran-3-carbonitrile
OPENEYE Name: 2-amino-4-(2,3-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
IUPAC Name: 2-amino-4-(2,3-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(2,3-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
MOLECULAR FORMULA: C22H18N2O3
MOLECULAR WEIGHT: 358.38992
SMILES: COC1=CC=CC(=C1OC)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N
Structure:
CAS RN: 5309-73-9
CAS Name: 2-(4-fluorophenyl)-N-[2-methyl-1-(1-oxopentyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
OPENEYE Name: 2-(4-fluorophenyl)-N-(2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenyl-acetamide
IUPAC Name: 2-(4-fluorophenyl)-N-(2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide
SYSTEMATIC NAME: 2-(4-fluorophenyl)-N-(2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenyl-ethanamide
MOLECULAR FORMULA: C29H31FN2O2
MOLECULAR WEIGHT: 458.567043
SMILES: CCCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)F)C
Structure:
CAS RN: 52942-50-4
CAS Name: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: COC1=C(C=C(C=C1)C2NC(=O)C3=CC=CC=C3O2)OC
Structure:
CAS RN: 5309-57-9
CAS Name: 7-(1,3-dioxolan-2-yl)-2,6-dimethyl-2-heptanol
OPENEYE Name: 7-(1,3-dioxolan-2-yl)-2,6-dimethyl-heptan-2-ol
IUPAC Name: 7-(1,3-dioxolan-2-yl)-2,6-dimethylheptan-2-ol
SYSTEMATIC NAME: 7-(1,3-dioxolan-2-yl)-2,6-dimethyl-heptan-2-ol
MOLECULAR FORMULA: C12H24O3
MOLECULAR WEIGHT: 216.31716
SMILES: CC(CCCC(C)(C)O)CC1OCCO1
Structure:
CAS RN: 5309-04-6
CAS Name: 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
OPENEYE Name: 4-ethyl-N-(2-methyl-4-nitro-phenyl)benzenesulfonamide
IUPAC Name: 4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
SYSTEMATIC NAME: 4-ethyl-N-(2-methyl-4-nitro-phenyl)benzenesulfonamide
MOLECULAR FORMULA: C15H16N2O4S
MOLECULAR WEIGHT: 320.36354
SMILES: CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C
Structure:
CAS RN: 5308-60-1
CAS Name: N-[di(propan-2-yloxy)phosphoryl-(4-methoxyphenyl)methyl]aniline
OPENEYE Name: N-[diisopropoxyphosphoryl-(4-methoxyphenyl)methyl]aniline
IUPAC Name: N-[di(propan-2-yloxy)phosphoryl-(4-methoxyphenyl)methyl]aniline
SYSTEMATIC NAME: N-[di(propan-2-yloxy)phosphoryl-(4-methoxyphenyl)methyl]aniline
MOLECULAR FORMULA: C20H28NO4P
MOLECULAR WEIGHT: 377.414381
SMILES: CC(C)OP(=O)(C(C1=CC=C(C=C1)OC)NC2=CC=CC=C2)OC(C)C
Structure:
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