CAS RN: 17753-22-9
CAS Name: N-[2-(2-methoxyphenoxy)ethyl]-N-propyl-1-propanamine hydrochloride
OPENEYE Name: N-[2-(2-methoxyphenoxy)ethyl]-N-propyl-propan-1-amine hydrochloride
IUPAC Name: N-[2-(2-methoxyphenoxy)ethyl]-N-propylpropan-1-amine hydrochloride
SYSTEMATIC NAME: N-[2-(2-methoxyphenoxy)ethyl]-N-propyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C15H26ClNO2
MOLECULAR WEIGHT: 287.82544
SMILES: CCCN(CCC)CCOC1=CC=CC=C1OC.Cl
Structure:
CAS RN: 17752-60-2
CAS Name: 6-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
OPENEYE Name: 6-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
IUPAC Name: 6-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C15H15N5O
MOLECULAR WEIGHT: 281.3125
SMILES: COC1=CC=C(C=C1)CC2=CN=C3C(=C2)C(=NC(=N3)N)N
Structure:
CAS RN: 17752-24-8
CAS Name: 2-[4-(trimethylsilylmethyl)phenyl]ethanamine hydrochloride
OPENEYE Name: 2-[4-(trimethylsilylmethyl)phenyl]ethanamine hydrochloride
IUPAC Name: 2-[4-(trimethylsilylmethyl)phenyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-[4-(trimethylsilylmethyl)phenyl]ethanamine hydrochloride
MOLECULAR FORMULA: C12H22ClNSi
MOLECULAR WEIGHT: 243.84828
SMILES: C[Si](C)(C)CC1=CC=C(C=C1)CCN.Cl
Structure:
CAS RN: 17751-78-9
CAS Name: 1-[2-(4-cyclopentylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(4-cyclopentylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(4-cyclopentylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(4-cyclopentylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C26H38BrNO
MOLECULAR WEIGHT: 460.49002
SMILES: CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCC3.[Br-]
Structure:
CAS RN: 17751-77-8
CAS Name: 1-(2-butan-2-yloxy-2-phenylethyl)pyridin-1-ium bromide
OPENEYE Name: 1-(2-phenyl-2-sec-butoxy-ethyl)pyridin-1-ium bromide
IUPAC Name: 1-(2-butan-2-yloxy-2-phenylethyl)pyridin-1-ium bromide
SYSTEMATIC NAME: 1-(2-butan-2-yloxy-2-phenyl-ethyl)pyridin-1-ium bromide
MOLECULAR FORMULA: C17H22BrNO
MOLECULAR WEIGHT: 336.26668
SMILES: CCC(C)OC(C[N+]1=CC=CC=C1)C2=CC=CC=C2.[Br-]
Structure:
CAS RN: 17751-76-7
CAS Name: 1-(2-butoxy-2-phenylethyl)pyridin-1-ium bromide
OPENEYE Name: 1-(2-butoxy-2-phenyl-ethyl)pyridin-1-ium bromide
IUPAC Name: 1-(2-butoxy-2-phenylethyl)pyridin-1-ium bromide
SYSTEMATIC NAME: 1-(2-butoxy-2-phenyl-ethyl)pyridin-1-ium bromide
MOLECULAR FORMULA: C17H22BrNO
MOLECULAR WEIGHT: 336.26668
SMILES: CCCCOC(C[N+]1=CC=CC=C1)C2=CC=CC=C2.[Br-]
Structure:
CAS RN: 17751-75-6
CAS Name: 1-[2-(4-tert-butylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(4-tert-butylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(4-tert-butylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(4-tert-butylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C25H38BrNO
MOLECULAR WEIGHT: 448.47932
SMILES: CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)(C)C.[Br-]
Structure:
CAS RN: 17751-74-5
CAS Name: 1-[2-(4-cyclohexylphenyl)-2-pentoxyethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(4-cyclohexylphenyl)-2-pentoxy-ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(4-cyclohexylphenyl)-2-pentoxyethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(4-cyclohexylphenyl)-2-pentoxy-ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C24H34BrNO
MOLECULAR WEIGHT: 432.43686
SMILES: CCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCCC3.[Br-]
Structure:
CAS RN: 17751-73-4
CAS Name: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C26H38BrNO
MOLECULAR WEIGHT: 460.49002
SMILES: CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCC3.[Br-]
Structure:
CAS RN: 17751-72-3
CAS Name: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C27H40BrNO
MOLECULAR WEIGHT: 474.5166
SMILES: CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC=CC(=C2)C3CCCCC3.[Br-]
Structure:
CAS RN: 17751-71-2
CAS Name: 1-[2-(4-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(4-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(4-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(4-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C27H40BrNO
MOLECULAR WEIGHT: 474.5166
SMILES: CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCCC3.[Br-]
Structure:
CAS RN: 17751-70-1
CAS Name: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C27H42BrNO
MOLECULAR WEIGHT: 476.53248
SMILES: CCCCCCC1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)OCC(CC)CCCC.[Br-]
Structure:
CAS RN: 17751-69-8
CAS Name: 1-[2-(4-cyclohexylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(4-cyclohexylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(4-cyclohexylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(4-cyclohexylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C27H40BrNO
MOLECULAR WEIGHT: 474.5166
SMILES: CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCCC3.[Br-]
Structure:
CAS RN: 17751-68-7
CAS Name: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C21H28BrCl2NO
MOLECULAR WEIGHT: 461.26312
SMILES: CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC(=C(C=C2)Cl)Cl.[Br-]
Structure:
CAS RN: 17751-25-6
CAS Name: (2,6-dimethylphenyl)methylurea
OPENEYE Name: (2,6-dimethylphenyl)methylurea
IUPAC Name: (2,6-dimethylphenyl)methylurea
SYSTEMATIC NAME: 1-[(2,6-dimethylphenyl)methyl]urea
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC1=C(C(=CC=C1)C)CNC(=O)N
Structure:
CAS RN: 17751-24-5
CAS Name: (2,6-difluorophenyl)methylurea
OPENEYE Name: (2,6-difluorophenyl)methylurea
IUPAC Name: (2,6-difluorophenyl)methylurea
SYSTEMATIC NAME: 1-[[2,6-bis(fluoranyl)phenyl]methyl]urea
MOLECULAR FORMULA: C8H8F2N2O
MOLECULAR WEIGHT: 186.158726
SMILES: C1=CC(=C(C(=C1)F)CNC(=O)N)F
Structure:
CAS RN: 17730-84-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H20ClN
MOLECULAR WEIGHT: 213.7469
SMILES: C1CCC23CC=CCC2(C1)CNC3.Cl
Structure:
CAS RN: 17730-83-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H18ClN
MOLECULAR WEIGHT: 211.73102
SMILES: C1C=CCC23C1(CC=CC2)CNC3.Cl
Structure:
CAS RN: 17730-78-8
CAS Name: 1-[4-(1-oxobutyl)-1-piperazinyl]-1-butanone
OPENEYE Name: 1-(4-butanoylpiperazin-1-yl)butan-1-one
IUPAC Name: 1-(4-butanoylpiperazin-1-yl)butan-1-one
SYSTEMATIC NAME: 1-(4-butanoylpiperazin-1-yl)butan-1-one
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CCCC(=O)N1CCN(CC1)C(=O)CCC
Structure:
CAS RN: 17730-63-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H20ClN
MOLECULAR WEIGHT: 225.7576
SMILES: CN1CC23CC=CCC2(C1)CC=CC3.Cl
Structure:
CAS RN: 17730-60-8
CAS Name: 1-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1-butanone hydrochloride
OPENEYE Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]butan-1-one hydrochloride
IUPAC Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]butan-1-one hydrochloride
SYSTEMATIC NAME: 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]butan-1-one hydrochloride
MOLECULAR FORMULA: C15H22Cl2N2O
MOLECULAR WEIGHT: 317.25398
SMILES: CCCC(=O)N1CCN(CC1)CC2=CC=CC=C2Cl.Cl
Structure:
CAS RN: 17722-18-8
CAS Name: N'-(4-chlorophenyl)propanediamide
OPENEYE Name: N'-(4-chlorophenyl)propanediamide
IUPAC Name: N'-(4-chlorophenyl)propanediamide
SYSTEMATIC NAME: N'-(4-chlorophenyl)propanediamide
MOLECULAR FORMULA: C9H9ClN2O2
MOLECULAR WEIGHT: 212.63296
SMILES: C1=CC(=CC=C1NC(=O)CC(=O)N)Cl
Structure:
CAS RN: 17713-07-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28ClNO2
MOLECULAR WEIGHT: 349.89482
SMILES: CN1CC23CCCCC2(C1)CC(CC3)OC(=O)C4=CC=CC=C4.Cl
Structure:
CAS RN: 17747-52-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28ClNO2
MOLECULAR WEIGHT: 349.89482
SMILES: CN1CC23CCCCC2(C1)CC(CC3)OC(=O)C4=CC=CC=C4.Cl
Structure:
CAS RN: 17713-06-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H24ClN
MOLECULAR WEIGHT: 265.82146
SMILES: C1CC1CN2CC34CC=CCC3(C2)CC=CC4.Cl
Structure:
CAS RN: 17713-05-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H22ClN
MOLECULAR WEIGHT: 227.77348
SMILES: CN1CC23CCCCC2(C1)CC=CC3.Cl
Structure:
CAS RN: 17710-63-3
CAS Name: N-methylcarbamic acid [3-(2-hydroxypropan-2-yl)phenyl] ester
OPENEYE Name: [3-(1-hydroxy-1-methyl-ethyl)phenyl] N-methylcarbamate
IUPAC Name: [3-(2-hydroxypropan-2-yl)phenyl] N-methylcarbamate
SYSTEMATIC NAME: [3-(2-oxidanylpropan-2-yl)phenyl] N-methylcarbamate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC(C)(C1=CC(=CC=C1)OC(=O)NC)O
Structure:
CAS RN: 17710-05-3
CAS Name: N-(5-methyl-2-pyridinyl)-4-nitrobenzamide
OPENEYE Name: N-(5-methyl-2-pyridyl)-4-nitro-benzamide
IUPAC Name: N-(5-methylpyridin-2-yl)-4-nitrobenzamide
SYSTEMATIC NAME: N-(5-methylpyridin-2-yl)-4-nitro-benzamide
MOLECULAR FORMULA: C13H11N3O3
MOLECULAR WEIGHT: 257.24474
SMILES: CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 17710-04-2
CAS Name: N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
OPENEYE Name: N-(3-methyl-2-pyridyl)-4-nitro-benzamide
IUPAC Name: N-(3-methylpyridin-2-yl)-4-nitrobenzamide
SYSTEMATIC NAME: N-(3-methylpyridin-2-yl)-4-nitro-benzamide
MOLECULAR FORMULA: C13H11N3O3
MOLECULAR WEIGHT: 257.24474
SMILES: CC1=C(N=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 17704-98-2
CAS Name: 2,2-dichloro-N-[6-[(2,2-dichloro-1-oxoethyl)amino]hexyl]acetamide
OPENEYE Name: 2,2-dichloro-N-[6-[(2,2-dichloroacetyl)amino]hexyl]acetamide
IUPAC Name: 2,2-dichloro-N-[6-[(2,2-dichloroacetyl)amino]hexyl]acetamide
SYSTEMATIC NAME: N-[6-[2,2-bis(chloranyl)ethanoylamino]hexyl]-2,2-bis(chloranyl)ethanamide
MOLECULAR FORMULA: C10H16Cl4N2O2
MOLECULAR WEIGHT: 338.05824
SMILES: C(CCCNC(=O)C(Cl)Cl)CCNC(=O)C(Cl)Cl
Structure:
CAS RN: 17700-32-2
CAS Name: 1-[2-[2-(butylthio)ethylsulfonyl]ethylthio]butane
OPENEYE Name: 1-[2-(2-butylsulfanylethylsulfonyl)ethylsulfanyl]butane
IUPAC Name: 1-[2-(2-butylsulfanylethylsulfonyl)ethylsulfanyl]butane
SYSTEMATIC NAME: 1-[2-(2-butylsulfanylethylsulfonyl)ethylsulfanyl]butane
MOLECULAR FORMULA: C12H26O2S3
MOLECULAR WEIGHT: 298.52864
SMILES: CCCCSCCS(=O)(=O)CCSCCCC
Structure:
CAS RN: 17700-30-0
CAS Name: 1-(ethylthio)-2-[2-(ethylthio)ethylsulfonyl]ethane
OPENEYE Name: 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfonyl)ethane
IUPAC Name: 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfonyl)ethane
SYSTEMATIC NAME: 1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfonyl)ethane
MOLECULAR FORMULA: C8H18O2S3
MOLECULAR WEIGHT: 242.42232
SMILES: CCSCCS(=O)(=O)CCSCC
Structure:
CAS RN: 17698-20-3
CAS Name: (2-chlorophenyl)-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]methanone hydrochloride
OPENEYE Name: (2-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone hydrochloride
IUPAC Name: (2-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone hydrochloride
SYSTEMATIC NAME: (2-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone hydrochloride
MOLECULAR FORMULA: C18H19Cl3N2O
MOLECULAR WEIGHT: 385.71526
SMILES: C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3Cl.Cl
Structure:
CAS RN: 17697-46-0
CAS Name: 1-(2-methyl-2-nitropropyl)piperidine
OPENEYE Name: 1-(2-methyl-2-nitro-propyl)piperidine
IUPAC Name: 1-(2-methyl-2-nitropropyl)piperidine
SYSTEMATIC NAME: 1-(2-methyl-2-nitro-propyl)piperidine
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CC(C)(CN1CCCCC1)[N+](=O)[O-]
Structure:
CAS RN: 17675-31-9
CAS Name: N-(4-bromo-2,6-dimethylphenyl)-2-(1-piperidinyl)acetamide
OPENEYE Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-(1-piperidyl)acetamide
IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-(4-bromanyl-2,6-dimethyl-phenyl)-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C15H21BrN2O
MOLECULAR WEIGHT: 325.24404
SMILES: CC1=CC(=CC(=C1NC(=O)CN2CCCCC2)C)Br
Structure:
CAS RN: 17675-29-5
CAS Name: N-[2,6-dimethyl-4-(2-phenylethoxy)phenyl]-2-(4-morpholinyl)acetamide
OPENEYE Name: N-[2,6-dimethyl-4-(2-phenylethoxy)phenyl]-2-morpholino-acetamide
IUPAC Name: N-[2,6-dimethyl-4-(2-phenylethoxy)phenyl]-2-morpholin-4-ylacetamide
SYSTEMATIC NAME: N-[2,6-dimethyl-4-(2-phenylethoxy)phenyl]-2-morpholin-4-yl-ethanamide
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CC1=CC(=CC(=C1NC(=O)CN2CCOCC2)C)OCCC3=CC=CC=C3
Structure:
CAS RN: 17672-21-8
CAS Name: 2-amino-3-hydroxybenzoic acid methyl ester
OPENEYE Name: methyl 2-amino-3-hydroxy-benzoate
IUPAC Name: methyl 2-amino-3-hydroxybenzoate
SYSTEMATIC NAME: methyl 2-azanyl-3-oxidanyl-benzoate
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: COC(=O)C1=C(C(=CC=C1)O)N
Structure:
CAS RN: 17669-76-0
CAS Name: 3-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5S,8R,9S,10R,11S,13R,17R)-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-11,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O10
MOLECULAR WEIGHT: 552.65366
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3[C@H](C[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)CO)O)O)O
Structure:
CAS RN: 17656-64-3
CAS Name: N-[(6,7-dimethoxy-3-methyl-1-isoquinolinyl)methyl]-4-methoxyaniline dihydrochloride
OPENEYE Name: N-[(6,7-dimethoxy-3-methyl-1-isoquinolyl)methyl]-4-methoxy-aniline dihydrochloride
IUPAC Name: N-[(6,7-dimethoxy-3-methylisoquinolin-1-yl)methyl]-4-methoxyaniline dihydrochloride
SYSTEMATIC NAME: N-[(6,7-dimethoxy-3-methyl-isoquinolin-1-yl)methyl]-4-methoxy-aniline dihydrochloride
MOLECULAR FORMULA: C20H24Cl2N2O3
MOLECULAR WEIGHT: 411.32216
SMILES: CC1=CC2=CC(=C(C=C2C(=N1)CNC3=CC=C(C=C3)OC)OC)OC.Cl.Cl
Structure:
CAS RN: 17656-60-9
CAS Name: 3-methoxy-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline dihydrochloride
OPENEYE Name: 3-methoxy-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline dihydrochloride
IUPAC Name: 3-methoxy-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline dihydrochloride
SYSTEMATIC NAME: 3-methoxy-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline dihydrochloride
MOLECULAR FORMULA: C19H20Cl2N2O3
MOLECULAR WEIGHT: 395.2797
SMILES: CC1=CC2=CC3=C(C=C2C(=N1)CNC4=CC(=CC=C4)OC)OCO3.Cl.Cl
Structure:
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