CAS RN: 70045-13-5
CAS Name: 4-[2-[pentyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol hydrobromide
OPENEYE Name: 4-[2-[pentyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol hydrobromide
IUPAC Name: 4-[2-[pentyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol hydrobromide
SYSTEMATIC NAME: 4-[2-[pentyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol hydrobromide
MOLECULAR FORMULA: C21H30BrNO2
MOLECULAR WEIGHT: 408.3724
SMILES: CCCCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.Br
Structure:
CAS RN: 70045-12-4
CAS Name: 4-[2-[butyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol hydrobromide
OPENEYE Name: 4-[2-[butyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol hydrobromide
IUPAC Name: 4-[2-[butyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol hydrobromide
SYSTEMATIC NAME: 4-[2-[butyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol hydrobromide
MOLECULAR FORMULA: C20H28BrNO2
MOLECULAR WEIGHT: 394.34582
SMILES: CCCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.Br
Structure:
CAS RN: 70045-11-3
CAS Name: 4-[2-[2-phenylethyl(propan-2-yl)amino]ethyl]benzene-1,2-diol
OPENEYE Name: 4-[2-[isopropyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol
IUPAC Name: 4-[2-[2-phenylethyl(propan-2-yl)amino]ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[2-[2-phenylethyl(propan-2-yl)amino]ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: CC(C)N(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O
Structure:
CAS RN: 70045-05-5
CAS Name: acetic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propylamino]ethyl]benzene-1,2-diol
OPENEYE Name: acetic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propyl-amino]ethyl]benzene-1,2-diol
IUPAC Name: acetic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propylamino]ethyl]benzene-1,2-diol
SYSTEMATIC NAME: ethanoic acid; 4-[2-[2-(4-nitrophenyl)ethyl-propyl-amino]ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C21H28N2O6
MOLECULAR WEIGHT: 404.45682
SMILES: CCCN(CCC1=CC=C(C=C1)[N+](=O)[O-])CCC2=CC(=C(C=C2)O)O.CC(=O)O
Structure:
CAS RN: 70045-00-0
CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-phenylethyl)-1-propanamine hydrochloride
OPENEYE Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-phenylethyl)propan-1-amine hydrochloride
IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-phenylethyl)propan-1-amine hydrochloride
SYSTEMATIC NAME: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-phenylethyl)propan-1-amine hydrochloride
MOLECULAR FORMULA: C20H26ClNO2
MOLECULAR WEIGHT: 347.87894
SMILES: CCCN(CCC1=CC=CC=C1)CCC2=CC3=C(C=C2)OCO3.Cl
Structure:
CAS RN: 70044-93-8
CAS Name: 4-[2-[ethyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol; oxalic acid
OPENEYE Name: 4-[2-[ethyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol; oxalic acid
IUPAC Name: 4-[2-[ethyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 4-[2-[ethyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C38H48N2O8
MOLECULAR WEIGHT: 660.79632
SMILES: CCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.CCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 70044-87-0
CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methyl-2-phenylethanamine hydrochloride
OPENEYE Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methyl-2-phenyl-ethanamine hydrochloride
IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methyl-2-phenylethanamine hydrochloride
SYSTEMATIC NAME: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methyl-2-phenyl-ethanamine hydrochloride
MOLECULAR FORMULA: C18H22ClNO2
MOLECULAR WEIGHT: 319.82578
SMILES: CN(CCC1=CC=CC=C1)CCC2=CC3=C(C=C2)OCO3.Cl
Structure:
CAS RN: 70044-86-9
CAS Name: acetic acid [2-acetyloxy-4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl] ester hydrochloride
OPENEYE Name: [2-acetoxy-4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl] acetate hydrochloride
IUPAC Name: [2-acetyloxy-4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl] acetate hydrochloride
SYSTEMATIC NAME: [2-acetyloxy-4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl] ethanoate hydrochloride
MOLECULAR FORMULA: C21H26ClNO4
MOLECULAR WEIGHT: 391.88844
SMILES: CC(=O)OC1=C(C=C(C=C1)CCN(C)CCC2=CC=CC=C2)OC(=O)C.Cl
Structure:
CAS RN: 70044-82-5
CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-phenylethanamine hydrobromide
OPENEYE Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-phenyl-ethanamine hydrobromide
IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-phenylethanamine hydrobromide
SYSTEMATIC NAME: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-phenyl-ethanamine hydrobromide
MOLECULAR FORMULA: C17H20BrNO2
MOLECULAR WEIGHT: 350.2502
SMILES: C1OC2=C(O1)C=C(C=C2)CCNCCC3=CC=CC=C3.Br
Structure:
CAS RN: 70044-81-4
CAS Name: 2-methoxy-4-[2-(2-phenylethylamino)ethyl]phenol hydrochloride
OPENEYE Name: 2-methoxy-4-[2-(2-phenylethylamino)ethyl]phenol hydrochloride
IUPAC Name: 2-methoxy-4-[2-(2-phenylethylamino)ethyl]phenol hydrochloride
SYSTEMATIC NAME: 2-methoxy-4-[2-(2-phenylethylamino)ethyl]phenol hydrochloride
MOLECULAR FORMULA: C17H22ClNO2
MOLECULAR WEIGHT: 307.81508
SMILES: COC1=C(C=CC(=C1)CCNCCC2=CC=CC=C2)O.Cl
Structure:
CAS RN: 70044-80-3
CAS Name: acetic acid [2-acetyloxy-4-[2-(2-phenylethylamino)ethyl]phenyl] ester hydrobromide
OPENEYE Name: [2-acetoxy-4-[2-(2-phenylethylamino)ethyl]phenyl] acetate hydrobromide
IUPAC Name: [2-acetyloxy-4-[2-(2-phenylethylamino)ethyl]phenyl] acetate hydrobromide
SYSTEMATIC NAME: [2-acetyloxy-4-[2-(2-phenylethylamino)ethyl]phenyl] ethanoate hydrobromide
MOLECULAR FORMULA: C20H24BrNO4
MOLECULAR WEIGHT: 422.31286
SMILES: CC(=O)OC1=C(C=C(C=C1)CCNCCC2=CC=CC=C2)OC(=O)C.Br
Structure:
CAS RN: 70044-79-0
CAS Name: 4-[2-(2-phenylethylamino)ethyl]benzene-1,2-diol hydrobromide
OPENEYE Name: 4-[2-(2-phenylethylamino)ethyl]benzene-1,2-diol hydrobromide
IUPAC Name: 4-[2-(2-phenylethylamino)ethyl]benzene-1,2-diol hydrobromide
SYSTEMATIC NAME: 4-[2-(2-phenylethylamino)ethyl]benzene-1,2-diol hydrobromide
MOLECULAR FORMULA: C16H20BrNO2
MOLECULAR WEIGHT: 338.2395
SMILES: C1=CC=C(C=C1)CCNCCC2=CC(=C(C=C2)O)O.Br
Structure:
CAS RN: 70029-43-5
CAS Name: [6-methyl-6-(phenylmethyl)-2-piperidinyl]-phenylmethanamine dihydrochloride
OPENEYE Name: (6-benzyl-6-methyl-2-piperidyl)-phenyl-methanamine dihydrochloride
IUPAC Name: (6-benzyl-6-methylpiperidin-2-yl)-phenylmethanamine dihydrochloride
SYSTEMATIC NAME: [6-methyl-6-(phenylmethyl)piperidin-2-yl]-phenyl-methanamine dihydrochloride
MOLECULAR FORMULA: C20H28Cl2N2
MOLECULAR WEIGHT: 367.35572
SMILES: CC1(CCCC(N1)C(C2=CC=CC=C2)N)CC3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 70029-37-7
CAS Name: N-[(1-methyl-3-piperidinyl)-phenylmethyl]propanamide
OPENEYE Name: N-[(1-methyl-3-piperidyl)-phenyl-methyl]propanamide
IUPAC Name: N-[(1-methylpiperidin-3-yl)-phenylmethyl]propanamide
SYSTEMATIC NAME: N-[(1-methylpiperidin-3-yl)-phenyl-methyl]propanamide
MOLECULAR FORMULA: C16H24N2O
MOLECULAR WEIGHT: 260.37456
SMILES: CCC(=O)NC(C1CCCN(C1)C)C2=CC=CC=C2
Structure:
CAS RN: 70017-19-5
CAS Name: 5-propan-2-yloxy-2-sulfamoylbenzoic acid methyl ester
OPENEYE Name: methyl 5-isopropoxy-2-sulfamoyl-benzoate
IUPAC Name: methyl 5-propan-2-yloxy-2-sulfamoylbenzoate
SYSTEMATIC NAME: methyl 5-propan-2-yloxy-2-sulfamoyl-benzoate
MOLECULAR FORMULA: C11H15NO5S
MOLECULAR WEIGHT: 273.3055
SMILES: CC(C)OC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC
Structure:
CAS RN: 70016-71-6
CAS Name: 2,3,4',6'-tetrahydroxy-4,4,7,8a-tetramethyl-8'-spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,6-dihydrofuro[3,4-g]benzofuran]one
OPENEYE Name: 2',3',4,6-tetrahydroxy-1',1',4'a,6'-tetramethyl-spiro[3,6-dihydrofuro[3,4-g]benzofuran-2,5'-decalin]-8-one
IUPAC Name: 2,3,4',6'-tetrahydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,6-dihydrofuro[3,4-g][1]benzofuran]-8'-one
SYSTEMATIC NAME: 4,4,7,8a-tetramethyl-2,3,4',6'-tetrakis(oxidanyl)spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,6-dihydrofuro[3,4-g][1]benzofuran]-8'-one
MOLECULAR FORMULA: C23H30O7
MOLECULAR WEIGHT: 418.4801
SMILES: CC1CCC2C(C(C(CC2(C13CC4=C(C=C5C(OC(=O)C5=C4O3)O)O)C)O)O)(C)C
Structure:
CAS RN: 70015-76-8
CAS Name: 4-amino-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate
IUPAC Name: ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-3-phenyl-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N
Structure:
CAS RN: 70007-65-7
CAS Name: 4,4-dimethyl-2-(2-methylsulfonylethyl)isoquinoline-1,3-dione
OPENEYE Name: 4,4-dimethyl-2-(2-methylsulfonylethyl)isoquinoline-1,3-dione
IUPAC Name: 4,4-dimethyl-2-(2-methylsulfonylethyl)isoquinoline-1,3-dione
SYSTEMATIC NAME: 4,4-dimethyl-2-(2-methylsulfonylethyl)isoquinoline-1,3-dione
MOLECULAR FORMULA: C14H17NO4S
MOLECULAR WEIGHT: 295.35408
SMILES: CC1(C2=CC=CC=C2C(=O)N(C1=O)CCS(=O)(=O)C)C
Structure:
CAS RN: 70007-64-6
CAS Name: 4,4-dimethyl-2-(2-methylsulfinylethyl)isoquinoline-1,3-dione
OPENEYE Name: 4,4-dimethyl-2-(2-methylsulfinylethyl)isoquinoline-1,3-dione
IUPAC Name: 4,4-dimethyl-2-(2-methylsulfinylethyl)isoquinoline-1,3-dione
SYSTEMATIC NAME: 4,4-dimethyl-2-(2-methylsulfinylethyl)isoquinoline-1,3-dione
MOLECULAR FORMULA: C14H17NO3S
MOLECULAR WEIGHT: 279.35468
SMILES: CC1(C2=CC=CC=C2C(=O)N(C1=O)CCS(=O)C)C
Structure:
CAS RN: 70007-63-5
CAS Name: 4,4-dimethyl-2-[2-(methylthio)ethyl]isoquinoline-1,3-dione
OPENEYE Name: 4,4-dimethyl-2-(2-methylsulfanylethyl)isoquinoline-1,3-dione
IUPAC Name: 4,4-dimethyl-2-(2-methylsulfanylethyl)isoquinoline-1,3-dione
SYSTEMATIC NAME: 4,4-dimethyl-2-(2-methylsulfanylethyl)isoquinoline-1,3-dione
MOLECULAR FORMULA: C14H17NO2S
MOLECULAR WEIGHT: 263.35528
SMILES: CC1(C2=CC=CC=C2C(=O)N(C1=O)CCSC)C
Structure:
CAS RN: 69978-07-0
CAS Name: 4-bromo-3-(dimethylamino)-5-oxadiazol-3-iumolate
OPENEYE Name: 4-bromo-3-(dimethylamino)oxadiazol-3-ium-5-olate
IUPAC Name: 4-bromo-3-(dimethylamino)oxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 4-bromanyl-3-(dimethylamino)-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C4H6BrN3O2
MOLECULAR WEIGHT: 208.01334
SMILES: CN(C)[N+]1=NOC(=C1Br)[O-]
Structure:
CAS RN: 69966-44-5
CAS Name: 3-[(methylthio)methyl]pyridine
OPENEYE Name: 3-(methylsulfanylmethyl)pyridine
IUPAC Name: 3-(methylsulfanylmethyl)pyridine
SYSTEMATIC NAME: 3-(methylsulfanylmethyl)pyridine
MOLECULAR FORMULA: C7H9NS
MOLECULAR WEIGHT: 139.21806
SMILES: CSCC1=CN=CC=C1
Structure:
CAS RN: 69960-97-0
CAS Name: 6-methoxy-2-methyl-3-(1-pyrrolidinyl)-1-benzopyran-4-one
OPENEYE Name: 6-methoxy-2-methyl-3-pyrrolidin-1-yl-chromen-4-one
IUPAC Name: 6-methoxy-2-methyl-3-pyrrolidin-1-ylchromen-4-one
SYSTEMATIC NAME: 6-methoxy-2-methyl-3-pyrrolidin-1-yl-chromen-4-one
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: CC1=C(C(=O)C2=C(O1)C=CC(=C2)OC)N3CCCC3
Structure:
CAS RN: 69950-32-9
CAS Name: 5,6-dimethyl-3-[3-(4-phenyl-1-piperazinyl)propyl]-1,3-diazinane-2,4-dione hydrochloride
OPENEYE Name: 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]hexahydropyrimidine-2,4-dione hydrochloride
IUPAC Name: 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione hydrochloride
SYSTEMATIC NAME: 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione hydrochloride
MOLECULAR FORMULA: C19H29ClN4O2
MOLECULAR WEIGHT: 380.91216
SMILES: CC1C(NC(=O)N(C1=O)CCCN2CCN(CC2)C3=CC=CC=C3)C.Cl
Structure:
CAS RN: 69950-28-3
CAS Name: 6,6-dimethyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-diazinane-2,4-dione hydrochloride
OPENEYE Name: 6,6-dimethyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]hexahydropyrimidine-2,4-dione hydrochloride
IUPAC Name: 6,6-dimethyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazinane-2,4-dione hydrochloride
SYSTEMATIC NAME: 6,6-dimethyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazinane-2,4-dione hydrochloride
MOLECULAR FORMULA: C18H27ClN4O2
MOLECULAR WEIGHT: 366.88558
SMILES: CC1(CC(=O)N(C(=O)N1)CCN2CCN(CC2)C3=CC=CC=C3)C.Cl
Structure:
CAS RN: 69950-27-2
CAS Name: 3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-6,6-dimethyl-1,3-diazinane-2,4-dione hydrochloride
OPENEYE Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6,6-dimethyl-hexahydropyrimidine-2,4-dione hydrochloride
IUPAC Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6,6-dimethyl-1,3-diazinane-2,4-dione hydrochloride
SYSTEMATIC NAME: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6,6-dimethyl-1,3-diazinane-2,4-dione hydrochloride
MOLECULAR FORMULA: C19H28ClFN4O2
MOLECULAR WEIGHT: 398.902623
SMILES: CC1(CC(=O)N(C(=O)N1)CCCN2CCN(CC2)C3=CC=C(C=C3)F)C.Cl
Structure:
CAS RN: 69950-07-8
CAS Name: 6,6-dimethyl-3-[3-(4-phenyl-1-piperazinyl)propyl]-1,3-diazinane-2,4-dione hydrochloride
OPENEYE Name: 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]hexahydropyrimidine-2,4-dione hydrochloride
IUPAC Name: 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione hydrochloride
SYSTEMATIC NAME: 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione hydrochloride
MOLECULAR FORMULA: C19H29ClN4O2
MOLECULAR WEIGHT: 380.91216
SMILES: CC1(CC(=O)N(C(=O)N1)CCCN2CCN(CC2)C3=CC=CC=C3)C.Cl
Structure:
CAS RN: 69949-54-8
CAS Name: 6,6-dimethyl-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C19H28N4OS
MOLECULAR WEIGHT: 360.51682
SMILES: CC1(CC(=O)N(C(=S)N1)CCCN2CCN(CC2)C3=CC=CC=C3)C
Structure:
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