CAS RN: 5428-14-8
CAS Name: 1-(4-ethylcyclohexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
OPENEYE Name: 1-(4-ethylcyclohexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
IUPAC Name: 1-(4-ethylcyclohexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SYSTEMATIC NAME: 1-(4-ethylcyclohexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
MOLECULAR FORMULA: C19H27F3N2
MOLECULAR WEIGHT: 340.42629
SMILES: CCC1CCC(CC1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 5427-34-9
CAS Name: 1-[(2,4-difluorophenyl)methyl]-4-(4-methylphenyl)piperazine
OPENEYE Name: 1-[(2,4-difluorophenyl)methyl]-4-(p-tolyl)piperazine
IUPAC Name: 1-[(2,4-difluorophenyl)methyl]-4-(4-methylphenyl)piperazine
SYSTEMATIC NAME: 1-[[2,4-bis(fluoranyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
MOLECULAR FORMULA: C18H20F2N2
MOLECULAR WEIGHT: 302.361606
SMILES: CC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C=C(C=C3)F)F
Structure:
CAS RN: 5426-41-5
CAS Name: 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazine
OPENEYE Name: 1-[(2,5-difluorophenyl)methyl]-4-phenyl-piperazine
IUPAC Name: 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazine
SYSTEMATIC NAME: 1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-phenyl-piperazine
MOLECULAR FORMULA: C17H18F2N2
MOLECULAR WEIGHT: 288.335026
SMILES: C1CN(CCN1CC2=C(C=CC(=C2)F)F)C3=CC=CC=C3
Structure:
CAS RN: 5423-21-2
CAS Name: 1-[(4-fluorophenyl)methyl]-4-(1-piperidinyl)piperidine
OPENEYE Name: 1-[(4-fluorophenyl)methyl]-4-(1-piperidyl)piperidine
IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpiperidine
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-piperidine
MOLECULAR FORMULA: C17H25FN2
MOLECULAR WEIGHT: 276.392203
SMILES: C1CCN(CC1)C2CCN(CC2)CC3=CC=C(C=C3)F
Structure:
CAS RN: 68104-61-0
CAS Name: 1-(4-tert-butylphenyl)piperazine
OPENEYE Name: 1-(4-tert-butylphenyl)piperazine
IUPAC Name: 1-(4-tert-butylphenyl)piperazine
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)piperazine
MOLECULAR FORMULA: C14H22N2
MOLECULAR WEIGHT: 218.33788
SMILES: CC(C)(C)C1=CC=C(C=C1)N2CCNCC2
Structure:
CAS RN: 415943-88-3
CAS Name: 5-(4-methoxy-2-nitrophenyl)-2-furancarboxaldehyde
OPENEYE Name: 5-(4-methoxy-2-nitro-phenyl)furan-2-carbaldehyde
IUPAC Name: 5-(4-methoxy-2-nitrophenyl)furan-2-carbaldehyde
SYSTEMATIC NAME: 5-(4-methoxy-2-nitro-phenyl)furan-2-carbaldehyde
MOLECULAR FORMULA: C12H9NO5
MOLECULAR WEIGHT: 247.20356
SMILES: COC1=CC(=C(C=C1)C2=CC=C(O2)C=O)[N+](=O)[O-]
Structure:
CAS RN: 5416-57-9
CAS Name: 1-(4-chlorophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(4-chlorophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(4-chlorophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-(4-chlorophenyl)urea
MOLECULAR FORMULA: C14H9Cl2F3N2O
MOLECULAR WEIGHT: 349.13527
SMILES: C1=CC(=CC=C1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Cl
Structure:
CAS RN: 5556-76-3
CAS Name: 1,2,3-trimethoxy-5-[(Z)-2-nitroprop-1-enyl]benzene
OPENEYE Name: 1,2,3-trimethoxy-5-[(Z)-2-nitroprop-1-enyl]benzene
IUPAC Name: 1,2,3-trimethoxy-5-[(Z)-2-nitroprop-1-enyl]benzene
SYSTEMATIC NAME: 1,2,3-trimethoxy-5-[(Z)-2-nitroprop-1-enyl]benzene
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: C/C(=C/C1=CC(=C(C(=C1)OC)OC)OC)/[N+](=O)[O-]
Structure:
CAS RN: 7253-99-8
CAS Name: 2-[(2,3,4-trichlorophenyl)thio]acetic acid
OPENEYE Name: 2-(2,3,4-trichlorophenyl)sulfanylacetic acid
IUPAC Name: 2-(2,3,4-trichlorophenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-[2,3,4-tris(chloranyl)phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C8H5Cl3O2S
MOLECULAR WEIGHT: 271.5481
SMILES: C1=CC(=C(C(=C1SCC(=O)O)Cl)Cl)Cl
Structure:
CAS RN: 90754-87-3
CAS Name: 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
OPENEYE Name: 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
IUPAC Name: 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C16H10N2O5
MOLECULAR WEIGHT: 310.261
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)C4=CC5=C(C=C4)OCO5
Structure:
CAS RN: 93643-24-4
CAS Name: (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
OPENEYE Name: (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
IUPAC Name: (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SYSTEMATIC NAME: (8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
MOLECULAR FORMULA: C7H14N2
MOLECULAR WEIGHT: 126.19946
SMILES: C1C[C@H]2CNCCN2C1
Structure:
CAS RN: 51390-19-3
CAS Name: 1-(5-hydroxy-2-methyl-1-phenyl-3-indolyl)ethanone
OPENEYE Name: 1-(5-hydroxy-2-methyl-1-phenyl-indol-3-yl)ethanone
IUPAC Name: 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone
SYSTEMATIC NAME: 1-(2-methyl-5-oxidanyl-1-phenyl-indol-3-yl)ethanone
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)O)C(=O)C
Structure:
CAS RN: 5246-49-1
CAS Name: 1-(4-methylphenyl)-3-phenylpropane-1,3-dione
OPENEYE Name: 1-phenyl-3-(p-tolyl)propane-1,3-dione
IUPAC Name: 1-(4-methylphenyl)-3-phenylpropane-1,3-dione
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-phenyl-propane-1,3-dione
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: CC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 55586-68-0
CAS Name: 4-(diethylamino)-2-methoxybenzaldehyde
OPENEYE Name: 4-(diethylamino)-2-methoxy-benzaldehyde
IUPAC Name: 4-(diethylamino)-2-methoxybenzaldehyde
SYSTEMATIC NAME: 4-(diethylamino)-2-methoxy-benzaldehyde
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCN(CC)C1=CC(=C(C=C1)C=O)OC
Structure:
CAS RN: 87597-83-9
CAS Name: 2-amino-6-nitro-1H-quinazolin-4-one
OPENEYE Name: 2-amino-6-nitro-1H-quinazolin-4-one
IUPAC Name: 2-amino-6-nitro-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-azanyl-6-nitro-1H-quinazolin-4-one
MOLECULAR FORMULA: C8H6N4O3
MOLECULAR WEIGHT: 206.15824
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N=C(N2)N
Structure:
CAS RN: 333773-69-6
CAS Name: 4-[4-(phenylthio)phenyl]-2-thiazolamine
OPENEYE Name: 4-(4-phenylsulfanylphenyl)thiazol-2-amine
IUPAC Name: 4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C15H12N2S2
MOLECULAR WEIGHT: 284.39918
SMILES: C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CSC(=N3)N
Structure:
CAS RN: 105512-82-1
CAS Name: 4-(4-phenoxyphenyl)-2-thiazolamine
OPENEYE Name: 4-(4-phenoxyphenyl)thiazol-2-amine
IUPAC Name: 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C15H12N2OS
MOLECULAR WEIGHT: 268.33358
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=N3)N
Structure:
CAS RN: 436099-75-1
CAS Name: 3-(2-amino-4-thiazolyl)propanoic acid methyl ester
OPENEYE Name: methyl 3-(2-aminothiazol-4-yl)propanoate
IUPAC Name: methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
SYSTEMATIC NAME: methyl 3-(2-azanyl-1,3-thiazol-4-yl)propanoate
MOLECULAR FORMULA: C7H10N2O2S
MOLECULAR WEIGHT: 186.2315
SMILES: COC(=O)CCC1=CSC(=N1)N
Structure:
CAS RN: 126647-17-4
CAS Name: N-(1-methyl-2-pyrrolidinylidene)-2-(2-oxo-1-pyrrolidinyl)ethanethioamide
OPENEYE Name: N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)thioacetamide
IUPAC Name: N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)ethanethioamide
SYSTEMATIC NAME: N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxidanylidenepyrrolidin-1-yl)ethanethioamide
MOLECULAR FORMULA: C11H17N3OS
MOLECULAR WEIGHT: 239.33718
SMILES: CN1CCCC1=NC(=S)CN2CCCC2=O
Structure:
CAS RN: 58648-36-5
CAS Name: (2-fluorophenyl)-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]methanone
OPENEYE Name: (2-fluorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
IUPAC Name: (2-fluorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SYSTEMATIC NAME: (2-fluorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C18H18F2N2O
MOLECULAR WEIGHT: 316.345126
SMILES: C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CC=CC=C3F
Structure:
CAS RN: 333780-20-4
CAS Name: 4-chloro-5-formyl-3,6,6-trimethyl-1,7-dihydroindole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-chloro-5-formyl-3,6,6-trimethyl-1,7-dihydroindole-2-carboxylate
IUPAC Name: ethyl 4-chloro-5-formyl-3,6,6-trimethyl-1,7-dihydroindole-2-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranyl-5-methanoyl-3,6,6-trimethyl-1,7-dihydroindole-2-carboxylate
MOLECULAR FORMULA: C15H18ClNO3
MOLECULAR WEIGHT: 295.76132
SMILES: CCOC(=O)C1=C(C2=C(N1)CC(C(=C2Cl)C=O)(C)C)C
Structure:
CAS RN: 58530-50-0
CAS Name: 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
IUPAC Name: propan-2-yl 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SYSTEMATIC NAME: propan-2-yl 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C14H16N2O3S
MOLECULAR WEIGHT: 292.35344
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)OC(C)C
Structure:
CAS RN: 58784-17-1
CAS Name: [4-[(2-fluorophenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone
OPENEYE Name: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(3-pyridyl)methanone
IUPAC Name: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
SYSTEMATIC NAME: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone
MOLECULAR FORMULA: C17H18FN3O
MOLECULAR WEIGHT: 299.342723
SMILES: C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CN=CC=C3
Structure:
CAS RN: 110274-75-4
CAS Name: 5-amino-1,3-dimethyl-2-benzimidazolone
OPENEYE Name: 5-amino-1,3-dimethyl-benzimidazol-2-one
IUPAC Name: 5-amino-1,3-dimethylbenzimidazol-2-one
SYSTEMATIC NAME: 5-azanyl-1,3-dimethyl-benzimidazol-2-one
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: CN1C2=C(C=C(C=C2)N)N(C1=O)C
Structure:
CAS RN: 334497-08-4
CAS Name: 3-(4-ethoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(4-ethoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(4-ethoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC=C
Structure:
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