CAS RN: 3482-74-4
CAS Name: 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide hydrochloride
OPENEYE Name: 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide hydrochloride
IUPAC Name: 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide hydrochloride
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-N-[2-(diethylamino)ethyl]ethanamide hydrochloride
MOLECULAR FORMULA: C14H22Cl2N2O2
MOLECULAR WEIGHT: 321.24268
SMILES: CCN(CC)CCNC(=O)COC1=CC=C(C=C1)Cl.Cl
Structure:
CAS RN: 3459-67-4
CAS Name: 3-aminobenzenecarboximidamide hydrochloride
OPENEYE Name: 3-aminobenzamidine hydrochloride
IUPAC Name: 3-aminobenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 3-azanylbenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C7H10ClN3
MOLECULAR WEIGHT: 171.6274
SMILES: C1=CC(=CC(=C1)N)C(=N)N.Cl
Structure:
CAS RN: 3398-68-3
CAS Name: 1-(4-methoxyphenyl)-N-methyl-2-propanamine hydrochloride
OPENEYE Name: 1-(4-methoxyphenyl)-N-methyl-propan-2-amine hydrochloride
IUPAC Name: 1-(4-methoxyphenyl)-N-methylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N-methyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C11H18ClNO
MOLECULAR WEIGHT: 215.71972
SMILES: CC(CC1=CC=C(C=C1)OC)NC.Cl
Structure:
CAS RN: 3393-60-0
CAS Name: 4,6,7-tribromo-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 4,6,7-tribromo-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 4,6,7-tribromo-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 4,6,7-tris(bromanyl)-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8H2Br3F3N2
MOLECULAR WEIGHT: 422.82209
SMILES: C1=C(C2=C(C(=C1Br)Br)NC(=N2)C(F)(F)F)Br
Structure:
CAS RN: 3365-99-9
CAS Name: 4-(4-chlorophenyl)azo-N-[3-(1-piperidinyl)propyl]-5,6,7,8-tetrahydronaphthalen-1-amine
OPENEYE Name: 8-(4-chlorophenyl)azo-N-[3-(1-piperidyl)propyl]tetralin-5-amine
IUPAC Name: 4-[(4-chlorophenyl)diazenyl]-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SYSTEMATIC NAME: 4-[(4-chlorophenyl)diazenyl]-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
MOLECULAR FORMULA: C24H31ClN4
MOLECULAR WEIGHT: 410.98274
SMILES: C1CCN(CC1)CCCNC2=C3CCCCC3=C(C=C2)N=NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 3540-95-2
CAS Name: 1-(3,3-diphenylpropyl)piperidine
OPENEYE Name: 1-(3,3-diphenylpropyl)piperidine
IUPAC Name: 1-(3,3-diphenylpropyl)piperidine
SYSTEMATIC NAME: 1-(3,3-diphenylpropyl)piperidine
MOLECULAR FORMULA: C20H25N
MOLECULAR WEIGHT: 279.4192
SMILES: C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 3329-14-4
CAS Name: 1-(3,3-diphenylpropyl)piperidine hydrochloride
OPENEYE Name: 1-(3,3-diphenylpropyl)piperidine hydrochloride
IUPAC Name: 1-(3,3-diphenylpropyl)piperidine hydrochloride
SYSTEMATIC NAME: 1-(3,3-diphenylpropyl)piperidine hydrochloride
MOLECULAR FORMULA: C20H26ClN
MOLECULAR WEIGHT: 315.88014
SMILES: C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 3088-54-8
CAS Name: erbium(3+); 2-hydroxypropane-1,2,3-tricarboxylate
OPENEYE Name: erbium(3+) citrate
IUPAC Name: erbium(3+); 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: erbium(3+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5ErO7
MOLECULAR WEIGHT: 356.3587
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Er+3]
Structure:
CAS RN: 3088-53-7
CAS Name: gadolinium(3+); 2-hydroxypropane-1,2,3-tricarboxylate
OPENEYE Name: gadolinium(3+) citrate
IUPAC Name: gadolinium(3+); 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: gadolinium(3+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5GdO7
MOLECULAR WEIGHT: 346.3497
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Gd+3]
Structure:
CAS RN: 3054-60-2
CAS Name: (3R,4S,5R)-2-(4-methylanilino)oxane-3,4,5-triol
OPENEYE Name: (3R,4S,5R)-2-(4-methylanilino)tetrahydropyran-3,4,5-triol
IUPAC Name: (3R,4S,5R)-2-(4-methylanilino)oxane-3,4,5-triol
SYSTEMATIC NAME: (3R,4S,5R)-2-[(4-methylphenyl)amino]oxane-3,4,5-triol
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CC1=CC=C(C=C1)NC2[C@@H]([C@H]([C@@H](CO2)O)O)O
Structure:
CAS RN: 2878-51-5
CAS Name: 2-[2-(1-azepanyl)ethyl]guanidine; sulfuric acid
OPENEYE Name: 2-[2-(azepan-1-yl)ethyl]guanidine; sulfuric acid
IUPAC Name: 2-[2-(azepan-1-yl)ethyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[2-(azepan-1-yl)ethyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C9H22N4O4S
MOLECULAR WEIGHT: 282.36038
SMILES: C1CCCN(CC1)CCN=C(N)N.OS(=O)(=O)O
Structure:
CAS RN: 2718-25-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H21NO6
MOLECULAR WEIGHT: 383.39454
SMILES: CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Structure:
CAS RN: 2711-58-2
CAS Name: 2-(5-fluoro-1H-indol-3-yl)ethanamine hydrochloride
OPENEYE Name: 2-(5-fluoro-1H-indol-3-yl)ethanamine hydrochloride
IUPAC Name: 2-(5-fluoro-1H-indol-3-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(5-fluoranyl-1H-indol-3-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C10H12ClFN2
MOLECULAR WEIGHT: 214.667083
SMILES: C1=CC2=C(C=C1F)C(=CN2)CCN.Cl
Structure:
CAS RN: 2691-46-5
CAS Name: 2-phenyl-2-(1-piperidinyl)acetic acid 2-(diethylamino)ethyl ester dihydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 2-phenyl-2-(1-piperidyl)acetate dihydrochloride
IUPAC Name: 2-(diethylamino)ethyl 2-phenyl-2-piperidin-1-ylacetate dihydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-phenyl-2-piperidin-1-yl-ethanoate dihydrochloride
MOLECULAR FORMULA: C19H32Cl2N2O2
MOLECULAR WEIGHT: 391.37558
SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)N2CCCCC2.Cl.Cl
Structure:
CAS RN: 2468-21-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O2
MOLECULAR WEIGHT: 336.42746
SMILES: CCC1=C[C@@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
Structure:
CAS RN: 2645-61-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25ClN2O2
MOLECULAR WEIGHT: 372.8884
SMILES: CCC1=C[C@@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.Cl
Structure:
CAS RN: 2618-38-4
CAS Name: benzoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl benzoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl benzoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl benzoate hydrochloride
MOLECULAR FORMULA: C13H20ClNO2
MOLECULAR WEIGHT: 257.7564
SMILES: CCN(CC)CCOC(=O)C1=CC=CC=C1.Cl
Structure:
CAS RN: 2527-11-9
CAS Name: (8S,10S,13S,14S,17S)-17-acetyl-9-bromo-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: (8S,10S,13S,14S,17S)-17-acetyl-9-bromo-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,11-dione
IUPAC Name: (8S,10S,13S,14S,17S)-17-acetyl-9-bromo-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (8S,10S,13S,14S,17S)-9-bromanyl-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C21H27BrO3
MOLECULAR WEIGHT: 407.34128
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)C3([C@H]2CCC4=CC(=O)CC[C@@]43C)Br)C
Structure:
CAS RN: 2524-02-9
CAS Name: chloro-difluoro-sulfanylidenephosphorane
OPENEYE Name: chloro-difluoro-thioxo-$l^{5}-phosphane
IUPAC Name: chloro-difluoro-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: chloranyl-bis(fluoranyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: ClF2PS
MOLECULAR WEIGHT: 136.488567
SMILES: FP(=S)(F)Cl
Structure:
CAS RN: 2511-15-1
CAS Name: 1-[(butylthio)-ethylphosphoryl]oxybutane
OPENEYE Name: 1-[butylsulfanyl(ethyl)phosphoryl]oxybutane
IUPAC Name: 1-[butylsulfanyl(ethyl)phosphoryl]oxybutane
SYSTEMATIC NAME: 1-[butylsulfanyl(ethyl)phosphoryl]oxybutane
MOLECULAR FORMULA: C10H23O2PS
MOLECULAR WEIGHT: 238.327181
SMILES: CCCCOP(=O)(CC)SCCCC
Structure:
CAS RN: 2504-11-2
CAS Name: (2-acetyloxy-3-carboxypropyl)-trimethylammonium chloride
OPENEYE Name: (2-acetoxy-3-carboxy-propyl)-trimethyl-ammonium chloride
IUPAC Name: (2-acetyloxy-3-carboxypropyl)-trimethylazanium chloride
SYSTEMATIC NAME: (2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium chloride
MOLECULAR FORMULA: C9H18ClNO4
MOLECULAR WEIGHT: 239.69652
SMILES: CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
Structure:
CAS RN: 5080-50-2
CAS Name: (2-acetyloxy-3-carboxypropyl)-trimethylammonium chloride
OPENEYE Name: (2-acetoxy-3-carboxy-propyl)-trimethyl-ammonium chloride
IUPAC Name: (2-acetyloxy-3-carboxypropyl)-trimethylazanium chloride
SYSTEMATIC NAME: (2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium chloride
MOLECULAR FORMULA: C9H18ClNO4
MOLECULAR WEIGHT: 239.69652
SMILES: CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
Structure:
CAS RN: 2364-44-5
CAS Name: 4-iodo-5-methyl-2-propan-2-ylphenol
OPENEYE Name: 4-iodo-2-isopropyl-5-methyl-phenol
IUPAC Name: 4-iodo-5-methyl-2-propan-2-ylphenol
SYSTEMATIC NAME: 4-iodanyl-5-methyl-2-propan-2-yl-phenol
MOLECULAR FORMULA: C10H13IO
MOLECULAR WEIGHT: 276.11409
SMILES: CC1=CC(=C(C=C1I)C(C)C)O
Structure:
CAS RN: 2355-43-3
CAS Name: 4,5,6,7-tetrafluoro-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 4,5,6,7-tetrafluoro-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 4,5,6,7-tetrafluoro-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 4,5,6,7-tetrakis(fluoranyl)-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8HF7N2
MOLECULAR WEIGHT: 258.095762
SMILES: C12=C(C(=C(C(=C1F)F)F)F)N=C(N2)C(F)(F)F
Structure:
CAS RN: 2315-43-7
CAS Name: N,N,3-trimethyl-1-butanamine
OPENEYE Name: N,N,3-trimethylbutan-1-amine
IUPAC Name: N,N,3-trimethylbutan-1-amine
SYSTEMATIC NAME: N,N,3-trimethylbutan-1-amine
MOLECULAR FORMULA: C7H17N
MOLECULAR WEIGHT: 115.21658
SMILES: CC(C)CCN(C)C
Structure:
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