CAS RN: 2347-27-5
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(1-naphthalenyloxy)-2-propanol
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(1-naphthyloxy)propan-2-ol
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-naphthalen-1-yloxy-propan-2-ol
MOLECULAR FORMULA: C23H27NO4
MOLECULAR WEIGHT: 381.46478
SMILES: COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=CC=CC=C32)O)OC
Structure:
CAS RN: 2341-57-3
CAS Name: 5-phenyl-3-[3-(trifluoromethyl)phenyl]-3-pyrrolidinol hydrochloride
OPENEYE Name: 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol hydrochloride
IUPAC Name: 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol hydrochloride
SYSTEMATIC NAME: 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol hydrochloride
MOLECULAR FORMULA: C17H17ClF3NO
MOLECULAR WEIGHT: 343.77119
SMILES: C1C(NCC1(C2=CC(=CC=C2)C(F)(F)F)O)C3=CC=CC=C3.Cl
Structure:
CAS RN: 2327-87-9
CAS Name: N-[bis(diethylaminomethyl)phosphorylmethyl]-N-ethylethanamine
OPENEYE Name: N-[bis(diethylaminomethyl)phosphorylmethyl]-N-ethyl-ethanamine
IUPAC Name: N-[bis(diethylaminomethyl)phosphorylmethyl]-N-ethylethanamine
SYSTEMATIC NAME: N-[bis(diethylaminomethyl)phosphorylmethyl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C15H36N3OP
MOLECULAR WEIGHT: 305.439601
SMILES: CCN(CC)CP(=O)(CN(CC)CC)CN(CC)CC
Structure:
CAS RN: 2319-45-1
CAS Name: 3-(4-bromophenyl)-1-methylpyrrolidine-2,5-dione
OPENEYE Name: 3-(4-bromophenyl)-1-methyl-pyrrolidine-2,5-dione
IUPAC Name: 3-(4-bromophenyl)-1-methylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-(4-bromophenyl)-1-methyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C11H10BrNO2
MOLECULAR WEIGHT: 268.1066
SMILES: CN1C(=O)CC(C1=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 2318-03-8
CAS Name: 5-(4-fluorophenyl)azopyrimidine-2,4,6-triamine
OPENEYE Name: 5-(4-fluorophenyl)azopyrimidine-2,4,6-triamine
IUPAC Name: 5-[(4-fluorophenyl)diazenyl]pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-[(4-fluorophenyl)diazenyl]pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C10H10FN7
MOLECULAR WEIGHT: 247.231703
SMILES: C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)F
Structure:
CAS RN: 2316-44-1
CAS Name: 3-(4-iodo-5-methyl-2-propan-2-ylphenoxy)propane-1,2-diol
OPENEYE Name: 3-(4-iodo-2-isopropyl-5-methyl-phenoxy)propane-1,2-diol
IUPAC Name: 3-(4-iodo-5-methyl-2-propan-2-ylphenoxy)propane-1,2-diol
SYSTEMATIC NAME: 3-(4-iodanyl-5-methyl-2-propan-2-yl-phenoxy)propane-1,2-diol
MOLECULAR FORMULA: C13H19IO3
MOLECULAR WEIGHT: 350.19263
SMILES: CC1=CC(=C(C=C1I)C(C)C)OCC(CO)O
Structure:
CAS RN: 2307-89-3
CAS Name: 4-[(6-methoxy-3-pyridazinyl)sulfonyl]aniline
OPENEYE Name: 4-(6-methoxypyridazin-3-yl)sulfonylaniline
IUPAC Name: 4-(6-methoxypyridazin-3-yl)sulfonylaniline
SYSTEMATIC NAME: 4-(6-methoxypyridazin-3-yl)sulfonylaniline
MOLECULAR FORMULA: C11H11N3O3S
MOLECULAR WEIGHT: 265.28834
SMILES: COC1=NN=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 2303-90-4
CAS Name: N,N'-bis(2-phenylethyl)methanimidamide
OPENEYE Name: N,N'-bis(2-phenylethyl)formamidine
IUPAC Name: N,N'-bis(2-phenylethyl)methanimidamide
SYSTEMATIC NAME: N,N'-bis(2-phenylethyl)methanimidamide
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: C1=CC=C(C=C1)CCNC=NCCC2=CC=CC=C2
Structure:
CAS RN: 2302-30-9
CAS Name: 4,5-dibromo-1H-imidazole
OPENEYE Name: 4,5-dibromo-1H-imidazole
IUPAC Name: 4,5-dibromo-1H-imidazole
SYSTEMATIC NAME: 4,5-bis(bromanyl)-1H-imidazole
MOLECULAR FORMULA: C3H2Br2N2
MOLECULAR WEIGHT: 225.86938
SMILES: C1=NC(=C(N1)Br)Br
Structure:
CAS RN: 2301-80-6
CAS Name: 1,4-dimethylpyridin-1-ium iodide
OPENEYE Name: 1,4-dimethylpyridin-1-ium iodide
IUPAC Name: 1,4-dimethylpyridin-1-ium iodide
SYSTEMATIC NAME: 1,4-dimethylpyridin-1-ium iodide
MOLECULAR FORMULA: C7H10IN
MOLECULAR WEIGHT: 235.06547
SMILES: CC1=CC=[N+](C=C1)C.[I-]
Structure:
CAS RN: 2299-98-1
CAS Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-17-ethanoyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 286.40854
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@H]1CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34
Structure:
CAS RN: 2298-55-7
CAS Name: 1,4-bis(phenylmethyl)piperazine dihydrochloride
OPENEYE Name: 1,4-dibenzylpiperazine dihydrochloride
IUPAC Name: 1,4-dibenzylpiperazine dihydrochloride
SYSTEMATIC NAME: 1,4-bis(phenylmethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C18H24Cl2N2
MOLECULAR WEIGHT: 339.30256
SMILES: C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 2292-08-2
CAS Name: (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
OPENEYE Name: (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
IUPAC Name: (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
SYSTEMATIC NAME: (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
MOLECULAR FORMULA: C8H16ClNO
MOLECULAR WEIGHT: 177.67174
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)O.Cl
Structure:
CAS RN: 2290-36-0
CAS Name: 3-triethylsilyl-1-propanol
OPENEYE Name: 3-triethylsilylpropan-1-ol
IUPAC Name: 3-triethylsilylpropan-1-ol
SYSTEMATIC NAME: 3-triethylsilylpropan-1-ol
MOLECULAR FORMULA: C9H22OSi
MOLECULAR WEIGHT: 174.35588
SMILES: CC[Si](CC)(CC)CCCO
Structure:
CAS RN: 2283-14-9
CAS Name: 3-[[1-[(3-chlorophenyl)methyl]-3-indazolyl]oxy]-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: 3-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: 3-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C19H23Cl2N3O
MOLECULAR WEIGHT: 380.31142
SMILES: CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC(=CC=C3)Cl.Cl
Structure:
CAS RN: 2282-94-2
CAS Name: 2-[[1-[(4-methoxyphenyl)methyl]-3-indazolyl]oxy]-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C19H24ClN3O2
MOLECULAR WEIGHT: 361.86576
SMILES: CN(C)CCOC1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)OC.Cl
Structure:
CAS RN: 2282-93-1
CAS Name: 3-[[5-chloro-1-[(4-methoxyphenyl)methyl]-3-indazolyl]oxy]-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: 3-[5-chloro-1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: 3-[5-chloro-1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-[5-chloranyl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C20H25Cl2N3O2
MOLECULAR WEIGHT: 410.3374
SMILES: CN(C)CCCOC1=NN(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)OC.Cl
Structure:
CAS RN: 2281-45-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H36O6
MOLECULAR WEIGHT: 528.63534
SMILES: CC1=C2C(=C(C=C1)C(C)C)C(=O)OC3=C(C=CC(=C3C(=O)OC4=C(C=CC(=C4C(=O)O2)C(C)C)C)C(C)C)C
Structure:
CAS RN: 2281-44-9
CAS Name: 2-[2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenoxy]-N,N-diethylacetamide
OPENEYE Name: 2-[4-allyl-2-[(dimethylamino)methyl]-6-methoxy-phenoxy]-N,N-diethyl-acetamide
IUPAC Name: 2-[2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenoxy]-N,N-diethylacetamide
SYSTEMATIC NAME: 2-[2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enyl-phenoxy]-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C19H30N2O3
MOLECULAR WEIGHT: 334.4531
SMILES: CCN(CC)C(=O)COC1=C(C=C(C=C1OC)CC=C)CN(C)C
Structure:
CAS RN: 2279-84-7
CAS Name: 2-(diethoxyphosphinothioylthio)-N,N-dimethylacetamide
OPENEYE Name: 2-diethoxyphosphinothioylsulfanyl-N,N-dimethyl-acetamide
IUPAC Name: 2-diethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide
SYSTEMATIC NAME: 2-diethoxyphosphinothioylsulfanyl-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C8H18NO3PS2
MOLECULAR WEIGHT: 271.337181
SMILES: CCOP(=S)(OCC)SCC(=O)N(C)C
Structure:
CAS RN: 69551-93-5
CAS Name: 1-ethyl-3-(3-methoxyphenyl)-3-propylpyrrolidine
OPENEYE Name: 1-ethyl-3-(3-methoxyphenyl)-3-propyl-pyrrolidine
IUPAC Name: 1-ethyl-3-(3-methoxyphenyl)-3-propylpyrrolidine
SYSTEMATIC NAME: 1-ethyl-3-(3-methoxyphenyl)-3-propyl-pyrrolidine
MOLECULAR FORMULA: C16H25NO
MOLECULAR WEIGHT: 247.3758
SMILES: CCCC1(CCN(C1)CC)C2=CC(=CC=C2)OC
Structure:
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