CAS RN: 126554-47-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H38BrN5O2
MOLECULAR WEIGHT: 532.51622
SMILES: CCCN1C[C@@H](CC2[C@H]1CC3=C(NC4=CC=CC2=C34)Br)C(=O)N(CCCN(C)C)C(=O)NCC
Structure:
CAS RN: 126520-99-8
CAS Name: 3-(1,3-benzodioxol-5-yl)-2-phenyl-1-propanamine hydrochloride
OPENEYE Name: 3-(1,3-benzodioxol-5-yl)-2-phenyl-propan-1-amine hydrochloride
IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-phenylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-2-phenyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C16H18ClNO2
MOLECULAR WEIGHT: 291.77262
SMILES: C1OC2=C(O1)C=C(C=C2)CC(CN)C3=CC=CC=C3.Cl
Structure:
CAS RN: 126517-42-8
CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetamide; oxalic acid
OPENEYE Name: N-(2-benzoyl-4-chloro-phenyl)-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]acetamide; oxalic acid
IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetamide; oxalic acid
SYSTEMATIC NAME: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]ethanamide; ethanedioic acid
MOLECULAR FORMULA: C25H23ClN2O7
MOLECULAR WEIGHT: 498.91232
SMILES: C1=CC=C(C=C1)[C@H](CO)NCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O
Structure:
CAS RN: 126517-38-2
CAS Name: 2-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-1-piperazinyl]ethanol dihydrochloride
OPENEYE Name: 2-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]piperazin-1-yl]ethanol dihydrochloride
IUPAC Name: 2-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]piperazin-1-yl]ethanol dihydrochloride
SYSTEMATIC NAME: 2-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]piperazin-1-yl]ethanol dihydrochloride
MOLECULAR FORMULA: C19H24Cl4N2O
MOLECULAR WEIGHT: 438.21866
SMILES: C1CN(CCN1CCO)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl.Cl.Cl
Structure:
CAS RN: 126517-37-1
CAS Name: 1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-4-methylpiperazine dihydrochloride
OPENEYE Name: 1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-4-methyl-piperazine dihydrochloride
IUPAC Name: 1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-4-methylpiperazine dihydrochloride
SYSTEMATIC NAME: 1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-4-methyl-piperazine dihydrochloride
MOLECULAR FORMULA: C18H22Cl4N2
MOLECULAR WEIGHT: 408.19268
SMILES: CN1CCN(CC1)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl.Cl.Cl
Structure:
CAS RN: 126517-36-0
CAS Name: 1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]azepane hydrochloride
OPENEYE Name: 1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]azepane hydrochloride
IUPAC Name: 1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]azepane hydrochloride
SYSTEMATIC NAME: 1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]azepane hydrochloride
MOLECULAR FORMULA: C19H22Cl3N
MOLECULAR WEIGHT: 370.74368
SMILES: C1CCCN(CC1)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl.Cl
Structure:
CAS RN: 126517-35-9
CAS Name: 1-[2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]ethyl]-4-methylpiperazine; oxalic acid
OPENEYE Name: 1-[2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]ethyl]-4-methyl-piperazine; oxalic acid
IUPAC Name: 1-[2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]ethyl]-4-methylpiperazine; oxalic acid
SYSTEMATIC NAME: 1-[2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]ethyl]-4-methyl-piperazine; ethanedioic acid
MOLECULAR FORMULA: C24H28Cl2N2O9
MOLECULAR WEIGHT: 559.39312
SMILES: CN1CCN(CC1)CCOC(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 126517-34-8
CAS Name: 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine; oxalic acid
OPENEYE Name: 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethyl-ethanamine; oxalic acid
IUPAC Name: 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine; oxalic acid
SYSTEMATIC NAME: 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethyl-ethanamine; ethanedioic acid
MOLECULAR FORMULA: C19H21Cl2NO5
MOLECULAR WEIGHT: 414.27974
SMILES: CN(C)CCOC(C1=CC(=CC=C1)Cl)C2=CC=CC=C2Cl.C(=O)(C(=O)O)O
Structure:
CAS RN: 126484-15-9
CAS Name: [1-ethyl-5-(ethylthio)-2-phenyl-4-imidazolyl]-triphenylphosphonium chloride
OPENEYE Name: (1-ethyl-5-ethylsulfanyl-2-phenyl-imidazol-4-yl)-triphenyl-phosphonium chloride
IUPAC Name: (1-ethyl-5-ethylsulfanyl-2-phenylimidazol-4-yl)-triphenylphosphanium chloride
SYSTEMATIC NAME: (1-ethyl-5-ethylsulfanyl-2-phenyl-imidazol-4-yl)-triphenyl-phosphanium chloride
MOLECULAR FORMULA: C31H30ClN2PS
MOLECULAR WEIGHT: 529.075061
SMILES: CCN1C(=C(N=C1C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC.[Cl-]
Structure:
CAS RN: 126480-59-9
CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanimidamide hydrochloride
OPENEYE Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamidine hydrochloride
IUPAC Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanimidamide hydrochloride
SYSTEMATIC NAME: N'-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanimidamide hydrochloride
MOLECULAR FORMULA: C21H29ClN6O4
MOLECULAR WEIGHT: 464.94576
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=NCCC3=CC(=C(C=C3)OC)OC)N.Cl
Structure:
CAS RN: 126480-57-7
CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanimidamide hydrochloride
OPENEYE Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamidine hydrochloride
IUPAC Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanimidamide hydrochloride
SYSTEMATIC NAME: N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanimidamide hydrochloride
MOLECULAR FORMULA: C20H27ClN6O4
MOLECULAR WEIGHT: 450.91918
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=NCCC3=CC(=C(C=C3)OC)OC)N.Cl
Structure:
CAS RN: 126480-56-6
CAS Name: 7-[3-imino-3-(1-piperidinyl)propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
OPENEYE Name: 7-[3-imino-3-(1-piperidyl)propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
IUPAC Name: 7-(3-imino-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione hydrochloride
SYSTEMATIC NAME: 7-(3-azanylidene-3-piperidin-1-yl-propyl)-1,3-dimethyl-purine-2,6-dione hydrochloride
MOLECULAR FORMULA: C15H23ClN6O2
MOLECULAR WEIGHT: 354.83512
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=N)N3CCCCC3.Cl
Structure:
CAS RN: 126480-55-5
CAS Name: 7-[3-imino-3-(4-morpholinyl)propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
OPENEYE Name: 7-(3-imino-3-morpholino-propyl)-1,3-dimethyl-purine-2,6-dione hydrochloride
IUPAC Name: 7-(3-imino-3-morpholin-4-ylpropyl)-1,3-dimethylpurine-2,6-dione hydrochloride
SYSTEMATIC NAME: 7-(3-azanylidene-3-morpholin-4-yl-propyl)-1,3-dimethyl-purine-2,6-dione hydrochloride
MOLECULAR FORMULA: C14H21ClN6O3
MOLECULAR WEIGHT: 356.80794
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=N)N3CCOCC3.Cl
Structure:
CAS RN: 126480-54-4
CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethanimidamide hydrochloride
OPENEYE Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamidine hydrochloride
IUPAC Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanimidamide hydrochloride
SYSTEMATIC NAME: N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanimidamide hydrochloride
MOLECULAR FORMULA: C19H25ClN6O4
MOLECULAR WEIGHT: 436.8926
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=NCCC3=CC(=C(C=C3)OC)OC)N.Cl
Structure:
CAS RN: 126454-05-5
CAS Name: 4-[3-(5-ethyl-5-hydroxy-6-methyl-2-oxanyl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hexanone
OPENEYE Name: 4-[3-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]hexan-3-one
IUPAC Name: 4-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]hexan-3-one
SYSTEMATIC NAME: 4-[3-(5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl)-3,10,12-trimethyl-15-oxidanyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]hexan-3-one
MOLECULAR FORMULA: C29H48O7
MOLECULAR WEIGHT: 508.68722
SMILES: CCC(C1C(CC(C2(O1)C=CC(C3(O2)CCC(O3)(C)C4CCC(C(O4)C)(CC)O)O)C)C)C(=O)CC
Structure:
CAS RN: 126426-74-2
CAS Name: antimony(3+); benzene; di(propan-2-yloxy)-sulfanylidene-sulfidophosphorane
OPENEYE Name: antimony(3+); benzene; diisopropoxy-sulfido-thioxo-$l^{5}-phosphane
IUPAC Name: antimony(3+); benzene; di(propan-2-yloxy)-sulfanylidene-sulfido-$l^{5}-phosphane
SYSTEMATIC NAME: antimony(3+); benzene; di(propan-2-yloxy)-sulfanidyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C18H24O2PS2Sb
MOLECULAR WEIGHT: 489.245721
SMILES: CC(C)OP(=S)(OC(C)C)[S-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Sb+3]
Structure:
CAS RN: 126418-38-0
CAS Name: (2R,4S,4aR,8aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol hydrochloride
OPENEYE Name: (2R,4S,4aR,8aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol hydrochloride
IUPAC Name: (2R,4S,4aR,8aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol hydrochloride
SYSTEMATIC NAME: (2R,4S,4aR,8aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol hydrochloride
MOLECULAR FORMULA: C22H32ClNO3
MOLECULAR WEIGHT: 393.94738
SMILES: C[C@@H]1C[C@]([C@@H]2CCCC[C@H]2N1CCC3=CC(=C(C=C3)OC)OC)(C#C)O.Cl
Structure:
CAS RN: 126406-37-9
CAS Name: 4-[3-hydroxy-3-[6-methoxy-3-(methylthio)-2-[2-(1-piperidinyl)ethoxy]phenyl]propyl]phenol
OPENEYE Name: 4-[3-hydroxy-3-[6-methoxy-3-methylsulfanyl-2-[2-(1-piperidyl)ethoxy]phenyl]propyl]phenol
IUPAC Name: 4-[3-hydroxy-3-[6-methoxy-3-methylsulfanyl-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
SYSTEMATIC NAME: 4-[3-[6-methoxy-3-methylsulfanyl-2-(2-piperidin-1-ylethoxy)phenyl]-3-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C24H33NO4S
MOLECULAR WEIGHT: 431.58812
SMILES: COC1=C(C(=C(C=C1)SC)OCCN2CCCCC2)C(CCC3=CC=C(C=C3)O)O
Structure:
CAS RN: 126406-30-2
CAS Name: 4-[3-[3-ethoxy-6-methoxy-2-[2-(1-piperidinyl)ethoxy]phenyl]-3-hydroxypropyl]phenol
OPENEYE Name: 4-[3-[3-ethoxy-6-methoxy-2-[2-(1-piperidyl)ethoxy]phenyl]-3-hydroxy-propyl]phenol
IUPAC Name: 4-[3-[3-ethoxy-6-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol
SYSTEMATIC NAME: 4-[3-[3-ethoxy-6-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C25H35NO5
MOLECULAR WEIGHT: 429.5491
SMILES: CCOC1=C(C(=C(C=C1)OC)C(CCC2=CC=C(C=C2)O)O)OCCN3CCCCC3
Structure:
CAS RN: 126406-29-9
CAS Name: 4-[3-[6-ethoxy-3-methoxy-2-[2-(1-piperidinyl)ethoxy]phenyl]-3-hydroxypropyl]phenol
OPENEYE Name: 4-[3-[6-ethoxy-3-methoxy-2-[2-(1-piperidyl)ethoxy]phenyl]-3-hydroxy-propyl]phenol
IUPAC Name: 4-[3-[6-ethoxy-3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol
SYSTEMATIC NAME: 4-[3-[6-ethoxy-3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C25H35NO5
MOLECULAR WEIGHT: 429.5491
SMILES: CCOC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(CCC3=CC=C(C=C3)O)O
Structure:
CAS RN: 126406-27-7
CAS Name: 4-[3-hydroxy-3-[3-methoxy-6-octoxy-2-[2-(1-piperidinyl)ethoxy]phenyl]propyl]phenol
OPENEYE Name: 4-[3-hydroxy-3-[3-methoxy-6-octoxy-2-[2-(1-piperidyl)ethoxy]phenyl]propyl]phenol
IUPAC Name: 4-[3-hydroxy-3-[3-methoxy-6-octoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
SYSTEMATIC NAME: 4-[3-[3-methoxy-6-octoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C31H47NO5
MOLECULAR WEIGHT: 513.70858
SMILES: CCCCCCCCOC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(CCC3=CC=C(C=C3)O)O
Structure:
CAS RN: 126406-24-4
CAS Name: 4-[3-[6-butoxy-3-methoxy-2-[2-(1-piperidinyl)ethoxy]phenyl]-3-hydroxypropyl]phenol
OPENEYE Name: 4-[3-[6-butoxy-3-methoxy-2-[2-(1-piperidyl)ethoxy]phenyl]-3-hydroxy-propyl]phenol
IUPAC Name: 4-[3-[6-butoxy-3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol
SYSTEMATIC NAME: 4-[3-[6-butoxy-3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C27H39NO5
MOLECULAR WEIGHT: 457.60226
SMILES: CCCCOC1=C(C(=C(C=C1)OC)OCCN2CCCCC2)C(CCC3=CC=C(C=C3)O)O
Structure:
CAS RN: 126379-86-0
CAS Name: 2-[(2-methoxy-9-acridinyl)thio]acetohydrazide
OPENEYE Name: 2-(2-methoxyacridin-9-yl)sulfanylacetohydrazide
IUPAC Name: 2-(2-methoxyacridin-9-yl)sulfanylacetohydrazide
SYSTEMATIC NAME: 2-(2-methoxyacridin-9-yl)sulfanylethanehydrazide
MOLECULAR FORMULA: C16H15N3O2S
MOLECULAR WEIGHT: 313.3742
SMILES: COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)SCC(=O)NN
Structure:
CAS RN: 126356-35-2
CAS Name: N-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]cyclohexanamine dihydrochloride
OPENEYE Name: N-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]cyclohexanamine dihydrochloride
IUPAC Name: N-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]cyclohexanamine dihydrochloride
SYSTEMATIC NAME: N-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]cyclohexanamine dihydrochloride
MOLECULAR FORMULA: C19H30Cl2N2
MOLECULAR WEIGHT: 357.3609
SMILES: CC1(CC2=CC=CC=C2C(=N1)CCNC3CCCCC3)C.Cl.Cl
Structure:
CAS RN: 126356-34-1
CAS Name: 3,3-dimethyl-1-[2-(1-piperidinyl)ethyl]-4H-isoquinoline dihydrochloride
OPENEYE Name: 3,3-dimethyl-1-[2-(1-piperidyl)ethyl]-4H-isoquinoline dihydrochloride
IUPAC Name: 3,3-dimethyl-1-(2-piperidin-1-ylethyl)-4H-isoquinoline dihydrochloride
SYSTEMATIC NAME: 3,3-dimethyl-1-(2-piperidin-1-ylethyl)-4H-isoquinoline dihydrochloride
MOLECULAR FORMULA: C18H28Cl2N2
MOLECULAR WEIGHT: 343.33432
SMILES: CC1(CC2=CC=CC=C2C(=N1)CCN3CCCCC3)C.Cl.Cl
Structure:
CAS RN: 126356-33-0
CAS Name: 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine dihydrochloride
OPENEYE Name: 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine dihydrochloride
IUPAC Name: 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine dihydrochloride
SYSTEMATIC NAME: 4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine dihydrochloride
MOLECULAR FORMULA: C17H26Cl2N2O
MOLECULAR WEIGHT: 345.30714
SMILES: CC1(CC2=CC=CC=C2C(=N1)CCN3CCOCC3)C.Cl.Cl
Structure:
CAS RN: 126356-32-9
CAS Name: 2-[2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethylethanamine dihydrochloride
OPENEYE Name: 2-[2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethyl-ethanamine dihydrochloride
IUPAC Name: 2-[2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethylethanamine dihydrochloride
SYSTEMATIC NAME: 2-[2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethyl-ethanamine dihydrochloride
MOLECULAR FORMULA: C21H36Cl2N2O3
MOLECULAR WEIGHT: 435.42814
SMILES: CCN(CC)CCOCCC1=NC(CC2=CC(=C(C=C21)OC)OC)(C)C.Cl.Cl
Structure:
CAS RN: 126356-31-8
CAS Name: 2-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethylethanamine dihydrochloride
OPENEYE Name: 2-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethyl-ethanamine dihydrochloride
IUPAC Name: 2-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethylethanamine dihydrochloride
SYSTEMATIC NAME: 2-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethoxy]-N,N-diethyl-ethanamine dihydrochloride
MOLECULAR FORMULA: C19H32Cl2N2O
MOLECULAR WEIGHT: 375.37618
SMILES: CCN(CC)CCOCCC1=NC(CC2=CC=CC=C21)(C)C.Cl.Cl
Structure:
CAS RN: 126356-27-2
CAS Name: (2R,4R,4aR,8aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol hydrochloride
OPENEYE Name: (2R,4R,4aR,8aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol hydrochloride
IUPAC Name: (2R,4R,4aR,8aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol hydrochloride
SYSTEMATIC NAME: (2R,4R,4aR,8aR)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol hydrochloride
MOLECULAR FORMULA: C22H32ClNO3
MOLECULAR WEIGHT: 393.94738
SMILES: C[C@@H]1C[C@@]([C@@H]2CCCC[C@H]2N1CCC3=CC(=C(C=C3)OC)OC)(C#C)O.Cl
Structure:
CAS RN: 126349-54-0
CAS Name: 5-anilino-5-oxo-4-[[1-oxo-2-[[(3-oxo-1H-isobenzofuran-1-yl)thio]methyl]-3-phenylpropyl]amino]pentanoic acid
OPENEYE Name: 5-anilino-4-[[2-benzyl-3-[(3-oxo-1H-isobenzofuran-1-yl)sulfanyl]propanoyl]amino]-5-oxo-pentanoic acid
IUPAC Name: 5-anilino-4-[[2-benzyl-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanoyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-4-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]-5-phenylazanyl-pentanoic acid
MOLECULAR FORMULA: C29H28N2O6S
MOLECULAR WEIGHT: 532.60742
SMILES: C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CCC(=O)O)C(=O)NC4=CC=CC=C4
Structure:
CAS RN: 126348-51-4
CAS Name: 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3,5-tris(prop-2-ynyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[1-(4-methoxyphenyl)but-3-enyl]-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C24H22N2O4
MOLECULAR WEIGHT: 402.44248
SMILES: COC1=CC=C(C=C1)C(CC=C)C2(C(=O)N(C(=O)N(C2=O)CC#C)CC#C)CC#C
Structure:
CAS RN: 126348-50-3
CAS Name: acetic acid [5-(1,2-diphenylethyl)-2,4,6-trioxo-1,3-diazinan-5-yl] ester
OPENEYE Name: [5-(1,2-diphenylethyl)-2,4,6-trioxo-hexahydropyrimidin-5-yl] acetate
IUPAC Name: [5-(1,2-diphenylethyl)-2,4,6-trioxo-1,3-diazinan-5-yl] acetate
SYSTEMATIC NAME: [5-(1,2-diphenylethyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl] ethanoate
MOLECULAR FORMULA: C20H18N2O5
MOLECULAR WEIGHT: 366.36732
SMILES: CC(=O)OC1(C(=O)NC(=O)NC1=O)C(CC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 126342-65-2
CAS Name: 2-hydroxy-5-(6-hydroxy-4-oxo-1-benzopyran-2-yl)benzoic acid
OPENEYE Name: 2-hydroxy-5-(6-hydroxy-4-oxo-chromen-2-yl)benzoic acid
IUPAC Name: 2-hydroxy-5-(6-hydroxy-4-oxochromen-2-yl)benzoic acid
SYSTEMATIC NAME: 2-oxidanyl-5-(6-oxidanyl-4-oxidanylidene-chromen-2-yl)benzoic acid
MOLECULAR FORMULA: C16H10O6
MOLECULAR WEIGHT: 298.247
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=CC(=C3)O)C(=O)O)O
Structure:
CAS RN: 126342-64-1
CAS Name: 2-hydroxy-5-(4-oxo-1-benzopyran-2-yl)benzoic acid
OPENEYE Name: 2-hydroxy-5-(4-oxochromen-2-yl)benzoic acid
IUPAC Name: 2-hydroxy-5-(4-oxochromen-2-yl)benzoic acid
SYSTEMATIC NAME: 2-oxidanyl-5-(4-oxidanylidenechromen-2-yl)benzoic acid
MOLECULAR FORMULA: C16H10O5
MOLECULAR WEIGHT: 282.2476
SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)C(=O)O
Structure:
CAS RN: 126335-10-2
CAS Name: 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-7H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-7H-furo[3,4-b]pyridine-3-carboxylate
IUPAC Name: ethyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-7H-furo[3,4-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-5-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-7H-furo[3,4-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C18H14F3NO4
MOLECULAR WEIGHT: 365.30327
SMILES: CCOC(=O)C1=C(N=C2COC(=O)C2=C1C3=CC=CC=C3C(F)(F)F)C
Structure:
CAS RN: 126335-09-9
CAS Name: 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
OPENEYE Name: 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
IUPAC Name: 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
SYSTEMATIC NAME: 4-[2-[bis(fluoranyl)methoxy]phenyl]-2-methyl-5-oxidanylidene-7H-furo[3,4-b]pyridine-3-carbonitrile
MOLECULAR FORMULA: C16H10F2N2O3
MOLECULAR WEIGHT: 316.259006
SMILES: CC1=NC2=C(C(=C1C#N)C3=CC=CC=C3OC(F)F)C(=O)OC2
Structure:
CAS RN: 126335-08-8
CAS Name: 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
IUPAC Name: ethyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2-methyl-5-oxidanylidene-7H-furo[3,4-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C18H15F2NO5
MOLECULAR WEIGHT: 363.312206
SMILES: CCOC(=O)C1=C(N=C2COC(=O)C2=C1C3=CC=CC=C3OC(F)F)C
Structure:
CAS RN: 126335-07-7
CAS Name: 4-[2-(difluoromethylthio)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 4-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
IUPAC Name: methyl 4-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 4-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C17H15F2NO4S
MOLECULAR WEIGHT: 367.367106
SMILES: CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3SC(F)F)C(=O)OC
Structure:
CAS RN: 126335-06-6
CAS Name: 4-(2-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 4-(2-chloro-3-nitro-phenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
IUPAC Name: methyl 4-(2-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 4-(2-chloranyl-3-nitro-phenyl)-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C16H13ClN2O6
MOLECULAR WEIGHT: 364.73722
SMILES: CC1=C(C(C2=C(N1)COC2=O)C3=C(C(=CC=C3)[N+](=O)[O-])Cl)C(=O)OC
Structure:
CAS RN: 126291-30-3
CAS Name: 9H-pyrido[3,4-b]indole-3-carboxylic acid pentyl ester hydrochloride
OPENEYE Name: pentyl 9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
IUPAC Name: pentyl 9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
SYSTEMATIC NAME: pentyl 9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C17H19ClN2O2
MOLECULAR WEIGHT: 318.79796
SMILES: CCCCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2.Cl
Structure:
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