CAS RN: 85239-26-5
CAS Name: 1-(N-methylanilino)-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-(N-methylanilino)-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-(N-methylanilino)-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-[methyl(phenyl)amino]-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CN(CC(COC1=CC=CC2=C1N=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 85239-25-4
CAS Name: 1-(diethylamino)-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-(diethylamino)-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-(diethylamino)-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-(diethylamino)-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C16H22N2O2
MOLECULAR WEIGHT: 274.35808
SMILES: CCN(CC)CC(COC1=CC=CC2=C1N=CC=C2)O
Structure:
CAS RN: 85239-24-3
CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C23H27N3O3
MOLECULAR WEIGHT: 393.47878
SMILES: COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=C3N=CC=C4)O
Structure:
CAS RN: 85239-23-2
CAS Name: 1-[4-(2-methylphenyl)-1-piperazinyl]-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-[4-(o-tolyl)piperazin-1-yl]-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(2-methylphenyl)piperazin-1-yl]-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C23H27N3O2
MOLECULAR WEIGHT: 377.47938
SMILES: CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=C3N=CC=C4)O
Structure:
CAS RN: 85239-22-1
CAS Name: 1-(4-methyl-1-piperazinyl)-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-(4-methylpiperazin-1-yl)-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-(4-methylpiperazin-1-yl)-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-(4-methylpiperazin-1-yl)-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C17H23N3O2
MOLECULAR WEIGHT: 301.38342
SMILES: CN1CCN(CC1)CC(COC2=CC=CC3=C2N=CC=C3)O
Structure:
CAS RN: 85239-21-0
CAS Name: 1-(3-methyl-1-piperidinyl)-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-(3-methyl-1-piperidyl)-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-(3-methylpiperidin-1-yl)-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-(3-methylpiperidin-1-yl)-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C18H24N2O2
MOLECULAR WEIGHT: 300.39536
SMILES: CC1CCCN(C1)CC(COC2=CC=CC3=C2N=CC=C3)O
Structure:
CAS RN: 85239-20-9
CAS Name: 1-(2-methyl-1-piperidinyl)-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-(2-methyl-1-piperidyl)-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-(2-methylpiperidin-1-yl)-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-(2-methylpiperidin-1-yl)-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C18H24N2O2
MOLECULAR WEIGHT: 300.39536
SMILES: CC1CCCCN1CC(COC2=CC=CC3=C2N=CC=C3)O
Structure:
CAS RN: 85239-19-6
CAS Name: 1-(1-piperidinyl)-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-(1-piperidyl)-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-piperidin-1-yl-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-piperidin-1-yl-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: C1CCN(CC1)CC(COC2=CC=CC3=C2N=CC=C3)O
Structure:
CAS RN: 85239-18-5
CAS Name: 1-(4-morpholinyl)-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-morpholino-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-morpholin-4-yl-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: C1COCCN1CC(COC2=CC=CC3=C2N=CC=C3)O
Structure:
CAS RN: 85239-17-4
CAS Name: 1-(1-pyrrolidinyl)-3-(8-quinolinyloxy)-2-propanol
OPENEYE Name: 1-pyrrolidin-1-yl-3-(8-quinolyloxy)propan-2-ol
IUPAC Name: 1-pyrrolidin-1-yl-3-quinolin-8-yloxypropan-2-ol
SYSTEMATIC NAME: 1-pyrrolidin-1-yl-3-quinolin-8-yloxy-propan-2-ol
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: C1CCN(C1)CC(COC2=CC=CC3=C2N=CC=C3)O
Structure:
CAS RN: 85211-65-0
CAS Name: acetic acid (4-hydroxy-2,3,5-trimethyl-6-phenacylphenyl) ester
OPENEYE Name: (4-hydroxy-2,3,5-trimethyl-6-phenacyl-phenyl) acetate
IUPAC Name: (4-hydroxy-2,3,5-trimethyl-6-phenacylphenyl) acetate
SYSTEMATIC NAME: (2,3,5-trimethyl-4-oxidanyl-6-phenacyl-phenyl) ethanoate
MOLECULAR FORMULA: C19H20O4
MOLECULAR WEIGHT: 312.3597
SMILES: CC1=C(C(=C(C(=C1O)C)CC(=O)C2=CC=CC=C2)OC(=O)C)C
Structure:
CAS RN: 85211-61-6
CAS Name: benzoic acid [4-hydroxy-2,3,5-trimethyl-6-(2-oxopropyl)phenyl] ester
OPENEYE Name: (2-acetonyl-4-hydroxy-3,5,6-trimethyl-phenyl) benzoate
IUPAC Name: [4-hydroxy-2,3,5-trimethyl-6-(2-oxopropyl)phenyl] benzoate
SYSTEMATIC NAME: [2,3,5-trimethyl-4-oxidanyl-6-(2-oxidanylidenepropyl)phenyl] benzoate
MOLECULAR FORMULA: C19H20O4
MOLECULAR WEIGHT: 312.3597
SMILES: CC1=C(C(=C(C(=C1O)C)CC(=O)C)OC(=O)C2=CC=CC=C2)C
Structure:
CAS RN: 85209-69-4
CAS Name: [2-chloro-4-(2,5-dimethyl-1-pyrrolyl)phenyl]-(4-methylphenyl)methanone
OPENEYE Name: [2-chloro-4-(2,5-dimethylpyrrol-1-yl)phenyl]-(p-tolyl)methanone
IUPAC Name: [2-chloro-4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylphenyl)methanone
SYSTEMATIC NAME: [2-chloranyl-4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylphenyl)methanone
MOLECULAR FORMULA: C20H18ClNO
MOLECULAR WEIGHT: 323.81602
SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N3C(=CC=C3C)C)Cl
Structure:
CAS RN: 85209-68-3
CAS Name: [2-chloro-4-(1-pyrrolyl)phenyl]-(4-methylphenyl)methanone
OPENEYE Name: (2-chloro-4-pyrrol-1-yl-phenyl)-(p-tolyl)methanone
IUPAC Name: (2-chloro-4-pyrrol-1-ylphenyl)-(4-methylphenyl)methanone
SYSTEMATIC NAME: (2-chloranyl-4-pyrrol-1-yl-phenyl)-(4-methylphenyl)methanone
MOLECULAR FORMULA: C18H14ClNO
MOLECULAR WEIGHT: 295.76286
SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N3C=CC=C3)Cl
Structure:
CAS RN: 85209-67-2
CAS Name: 2-[[1-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]amino]acetic acid (2-methoxyphenyl) ester
OPENEYE Name: (2-methoxyphenyl) 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]acetate
IUPAC Name: (2-methoxyphenyl) 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]acetate
SYSTEMATIC NAME: (2-methoxyphenyl) 2-[2-(4-pyrrol-1-ylphenyl)ethanoylamino]ethanoate
MOLECULAR FORMULA: C21H20N2O4
MOLECULAR WEIGHT: 364.3945
SMILES: COC1=CC=CC=C1OC(=O)CNC(=O)CC2=CC=C(C=C2)N3C=CC=C3
Structure:
CAS RN: 85209-66-1
CAS Name: 2-[4-(1-pyrrolyl)phenyl]-N-(2-thiazolyl)acetamide
OPENEYE Name: 2-(4-pyrrol-1-ylphenyl)-N-thiazol-2-yl-acetamide
IUPAC Name: 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(4-pyrrol-1-ylphenyl)-N-(1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C15H13N3OS
MOLECULAR WEIGHT: 283.34822
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)CC(=O)NC3=NC=CS3
Structure:
CAS RN: 85209-65-0
CAS Name: 2-[[1-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]amino]acetic acid
OPENEYE Name: 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]acetic acid
IUPAC Name: 2-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-(4-pyrrol-1-ylphenyl)ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)CC(=O)NCC(=O)O
Structure:
CAS RN: 85197-76-8
CAS Name: (8S,10S,11S,13S,14S,17R)-17-(ethylthio)-9-fluoro-11-hydroxy-10,13-dimethyl-17-(methylthio)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,10S,11S,13S,14S,17R)-17-ethylsulfanyl-9-fluoro-11-hydroxy-10,13-dimethyl-17-methylsulfanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,10S,11S,13S,14S,17R)-17-ethylsulfanyl-9-fluoro-11-hydroxy-10,13-dimethyl-17-methylsulfanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,10S,11S,13S,14S,17R)-17-ethylsulfanyl-9-fluoranyl-10,13-dimethyl-17-methylsulfanyl-11-oxidanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31FO2S2
MOLECULAR WEIGHT: 410.608743
SMILES: CCS[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)SC
Structure:
CAS RN: 85195-76-2
CAS Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-6-fluoranyl-7-[4-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C21H22FN3O6
MOLECULAR WEIGHT: 431.414283
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=C(OC(=O)O4)C)F)C(=O)O
Structure:
CAS RN: 85181-37-9
CAS Name: 3,5-dimethoxybenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dimethoxybenzoate
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dimethoxybenzoate
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dimethoxybenzoate
MOLECULAR FORMULA: C17H23NO4
MOLECULAR WEIGHT: 305.36882
SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)OC)OC
Structure:
CAS RN: 85178-68-3
CAS Name: 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
OPENEYE Name: 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
IUPAC Name: 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SYSTEMATIC NAME: 4-bromanyl-N-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]aniline
MOLECULAR FORMULA: C9H10BrN5
MOLECULAR WEIGHT: 268.1132
SMILES: C1=CC(=CC=C1NCCC2=NNN=N2)Br
Structure:
CAS RN: 85175-31-1
CAS Name: 5-[1]benzopyrano[4,3-b]pyridinone
OPENEYE Name: chromeno[4,3-b]pyridin-5-one
IUPAC Name: chromeno[4,3-b]pyridin-5-one
SYSTEMATIC NAME: chromeno[4,3-b]pyridin-5-one
MOLECULAR FORMULA: C12H7NO2
MOLECULAR WEIGHT: 197.18948
SMILES: C1=CC=C2C(=C1)C3=C(C=CC=N3)C(=O)O2
Structure:
CAS RN: 85162-11-4
CAS Name: 2-[2-(4-fluorophenyl)-5-(3-thiophenyl)-4-oxazolyl]acetic acid
OPENEYE Name: 2-[2-(4-fluorophenyl)-5-(3-thienyl)oxazol-4-yl]acetic acid
IUPAC Name: 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C15H10FNO3S
MOLECULAR WEIGHT: 303.308203
SMILES: C1=CC(=CC=C1C2=NC(=C(O2)C3=CSC=C3)CC(=O)O)F
Structure:
CAS RN: 85145-43-3
CAS Name: 3-[2-(4-methylanilino)-1-benzimidazolyl]-N-(4-methylphenyl)propanamide
OPENEYE Name: 3-[2-(4-methylanilino)benzimidazol-1-yl]-N-(p-tolyl)propanamide
IUPAC Name: 3-[2-(4-methylanilino)benzimidazol-1-yl]-N-(4-methylphenyl)propanamide
SYSTEMATIC NAME: N-(4-methylphenyl)-3-[2-[(4-methylphenyl)amino]benzimidazol-1-yl]propanamide
MOLECULAR FORMULA: C24H24N4O
MOLECULAR WEIGHT: 384.47356
SMILES: CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2CCC(=O)NC4=CC=C(C=C4)C
Structure:
CAS RN: 85145-39-7
CAS Name: 3-[2-(1-piperidinyl)-1-benzimidazolyl]propanoic acid hydrochloride
OPENEYE Name: 3-[2-(1-piperidyl)benzimidazol-1-yl]propanoic acid hydrochloride
IUPAC Name: 3-(2-piperidin-1-ylbenzimidazol-1-yl)propanoic acid hydrochloride
SYSTEMATIC NAME: 3-(2-piperidin-1-ylbenzimidazol-1-yl)propanoic acid hydrochloride
MOLECULAR FORMULA: C15H20ClN3O2
MOLECULAR WEIGHT: 309.7912
SMILES: C1CCN(CC1)C2=NC3=CC=CC=C3N2CCC(=O)O.Cl
Structure:
CAS RN: 85145-38-6
CAS Name: 3-[2-(1-piperidinyl)-1-benzimidazolyl]propanenitrile
OPENEYE Name: 3-[2-(1-piperidyl)benzimidazol-1-yl]propanenitrile
IUPAC Name: 3-(2-piperidin-1-ylbenzimidazol-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(2-piperidin-1-ylbenzimidazol-1-yl)propanenitrile
MOLECULAR FORMULA: C15H18N4
MOLECULAR WEIGHT: 254.33022
SMILES: C1CCN(CC1)C2=NC3=CC=CC=C3N2CCC#N
Structure:
CAS RN: 85128-48-9
CAS Name: 1-(dimethylamino)-3-[2-[1-(1-imidazolyl)ethenyl]phenoxy]-2-propanol
OPENEYE Name: 1-(dimethylamino)-3-[2-(1-imidazol-1-ylvinyl)phenoxy]propan-2-ol
IUPAC Name: 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol
MOLECULAR FORMULA: C16H21N3O2
MOLECULAR WEIGHT: 287.35684
SMILES: CN(C)CC(COC1=CC=CC=C1C(=C)N2C=CN=C2)O
Structure:
CAS RN: 85128-21-8
CAS Name: 1-(tert-butylamino)-3-[2-[1-(1-imidazolyl)ethenyl]-4,6-dimethylphenoxy]-2-propanol
OPENEYE Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylvinyl)-4,6-dimethyl-phenoxy]propan-2-ol
IUPAC Name: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-4,6-dimethylphenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-4,6-dimethyl-phenoxy]propan-2-ol
MOLECULAR FORMULA: C20H29N3O2
MOLECULAR WEIGHT: 343.46316
SMILES: CC1=CC(=C(C(=C1)C(=C)N2C=CN=C2)OCC(CNC(C)(C)C)O)C
Structure:
CAS RN: 85128-20-7
CAS Name: 1-[2-[1-(1-imidazolyl)ethenyl]-3,6-dimethylphenoxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-[2-(1-imidazol-1-ylvinyl)-3,6-dimethyl-phenoxy]-3-(isopropylamino)propan-2-ol
IUPAC Name: 1-[2-(1-imidazol-1-ylethenyl)-3,6-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-[2-(1-imidazol-1-ylethenyl)-3,6-dimethyl-phenoxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C19H27N3O2
MOLECULAR WEIGHT: 329.43658
SMILES: CC1=C(C(=C(C=C1)C)OCC(CNC(C)C)O)C(=C)N2C=CN=C2
Structure:
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