CAS RN: 129841-26-5
CAS Name: 2-[4-(dimethylamino)-1-phenylbutyl]-4-methoxyphenol
OPENEYE Name: 2-[4-(dimethylamino)-1-phenyl-butyl]-4-methoxy-phenol
IUPAC Name: 2-[4-(dimethylamino)-1-phenylbutyl]-4-methoxyphenol
SYSTEMATIC NAME: 2-[4-(dimethylamino)-1-phenyl-butyl]-4-methoxy-phenol
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: CN(C)CCCC(C1=CC=CC=C1)C2=C(C=CC(=C2)OC)O
Structure:
CAS RN: 129841-23-2
CAS Name: 4-(2-hydroxy-5-methoxyphenyl)-N,N-dimethyl-4-phenylbutanamide
OPENEYE Name: 4-(2-hydroxy-5-methoxy-phenyl)-N,N-dimethyl-4-phenyl-butanamide
IUPAC Name: 4-(2-hydroxy-5-methoxyphenyl)-N,N-dimethyl-4-phenylbutanamide
SYSTEMATIC NAME: 4-(5-methoxy-2-oxidanyl-phenyl)-N,N-dimethyl-4-phenyl-butanamide
MOLECULAR FORMULA: C19H23NO3
MOLECULAR WEIGHT: 313.39082
SMILES: CN(C)C(=O)CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)OC)O
Structure:
CAS RN: 129841-22-1
CAS Name: 4-(2-hydroxyphenyl)-1-(4-methyl-1-piperazinyl)-4-phenyl-1-butanone
OPENEYE Name: 4-(2-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenyl-butan-1-one
IUPAC Name: 4-(2-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbutan-1-one
SYSTEMATIC NAME: 4-(2-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenyl-butan-1-one
MOLECULAR FORMULA: C21H26N2O2
MOLECULAR WEIGHT: 338.44334
SMILES: CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=CC=CC=C3O
Structure:
CAS RN: 129841-21-0
CAS Name: 4-(2-hydroxyphenyl)-N,N-dimethyl-4-phenylbutanamide
OPENEYE Name: 4-(2-hydroxyphenyl)-N,N-dimethyl-4-phenyl-butanamide
IUPAC Name: 4-(2-hydroxyphenyl)-N,N-dimethyl-4-phenylbutanamide
SYSTEMATIC NAME: 4-(2-hydroxyphenyl)-N,N-dimethyl-4-phenyl-butanamide
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CN(C)C(=O)CCC(C1=CC=CC=C1)C2=CC=CC=C2O
Structure:
CAS RN: 129801-24-7
CAS Name: 1-[4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-selenadiazol-2-yl]ethanone
OPENEYE Name: 1-[5-benzyl-4-phenyl-5-(1-piperidyl)-1,3,4-selenadiazol-2-yl]ethanone
IUPAC Name: 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-selenadiazol-2-yl)ethanone
SYSTEMATIC NAME: 1-[4-phenyl-5-(phenylmethyl)-5-piperidin-1-yl-1,3,4-selenadiazol-2-yl]ethanone
MOLECULAR FORMULA: C22H25N3OSe
MOLECULAR WEIGHT: 426.4134
SMILES: CC(=O)C1=NN(C([Se]1)(CC2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4
Structure:
CAS RN: 129784-04-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N3O6S
MOLECULAR WEIGHT: 369.39286
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2COS(=O)(=O)C)OC)N4)N
Structure:
CAS RN: 129762-57-8
CAS Name: 1-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-6H-pyrrolo[2,1-a]isoquinolin-3-one
OPENEYE Name: 1-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-6H-pyrrolo[2,1-a]isoquinolin-3-one
IUPAC Name: 1-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-6H-pyrrolo[2,1-a]isoquinolin-3-one
SYSTEMATIC NAME: 1-(3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-2-oxidanyl-2-(trifluoromethyl)-6H-pyrrolo[2,1-a]isoquinolin-3-one
MOLECULAR FORMULA: C26H25F3N2O2
MOLECULAR WEIGHT: 454.48411
SMILES: CC1(CC2=CC=CC=C2C(=N1)C3=C4C5=CC=CC=C5CC(N4C(=O)C3(C(F)(F)F)O)(C)C)C
Structure:
CAS RN: 129750-91-0
CAS Name: 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid 4-morpholinylmethyl ester
OPENEYE Name: morpholinomethyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)propanoate
IUPAC Name: morpholin-4-ylmethyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
SYSTEMATIC NAME: morpholin-4-ylmethyl 2-[1,3-dicyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propanoate
MOLECULAR FORMULA: C24H37N3O6
MOLECULAR WEIGHT: 463.56708
SMILES: CC(C1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3)C(=O)OCN4CCOCC4
Structure:
CAS RN: 129750-90-9
CAS Name: 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid methyl ester
OPENEYE Name: methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)propanoate
IUPAC Name: methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
SYSTEMATIC NAME: methyl 2-[1,3-dicyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propanoate
MOLECULAR FORMULA: C20H30N2O5
MOLECULAR WEIGHT: 378.4626
SMILES: CC(C1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3)C(=O)OC
Structure:
CAS RN: 129750-87-4
CAS Name: 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid
OPENEYE Name: 2-(1,3-dicyclohexyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)propanoic acid
IUPAC Name: 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoic acid
SYSTEMATIC NAME: 2-[1,3-dicyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]propanoic acid
MOLECULAR FORMULA: C19H28N2O5
MOLECULAR WEIGHT: 364.43602
SMILES: CC(C1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3)C(=O)O
Structure:
CAS RN: 129707-59-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8S4
MOLECULAR WEIGHT: 232.40912
SMILES: C1CC2C3C(C1SC3=S)C(=S)S2
Structure:
CAS RN: 129679-53-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8O2S2
MOLECULAR WEIGHT: 200.27792
SMILES: C1CC2C3C(C1OC3=S)C(=S)O2
Structure:
CAS RN: 129679-52-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8O3S
MOLECULAR WEIGHT: 184.21232
SMILES: C1CC2C3C(C1OC3=O)C(=S)O2
Structure:
CAS RN: 129679-51-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8OS3
MOLECULAR WEIGHT: 216.34352
SMILES: C1CC2C3C(C1SC3=O)C(=S)S2
Structure:
CAS RN: 129679-50-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CC12CCC3(C(C1C(=O)O3)C(=O)O2)C
Structure:
CAS RN: 129679-49-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: C1CC2C3C(C1OC3=O)C(=O)O2
Structure:
CAS RN: 129679-48-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H8O2S2
MOLECULAR WEIGHT: 248.32072
SMILES: C1=CC=C2C3C4C(C(C2=C1)SC4=O)C(=O)S3
Structure:
CAS RN: 129679-47-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16O2S2
MOLECULAR WEIGHT: 256.38424
SMILES: CCCCC1CC2C3C(C1SC3=O)C(=O)S2
Structure:
CAS RN: 129679-46-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12O2S2
MOLECULAR WEIGHT: 228.33108
SMILES: CC12CCC3(C(C1C(=O)S3)C(=O)S2)C
Structure:
CAS RN: 129679-45-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10O2S2
MOLECULAR WEIGHT: 214.3045
SMILES: CC1CC2C3C(C1SC3=O)C(=O)S2
Structure:
CAS RN: 129663-59-8
CAS Name: 2-(4-methyl-1-piperazinyl)-4-phenylmethoxyquinazoline
OPENEYE Name: 4-benzyloxy-2-(4-methylpiperazin-1-yl)quinazoline
IUPAC Name: 2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)-4-phenylmethoxy-quinazoline
MOLECULAR FORMULA: C20H22N4O
MOLECULAR WEIGHT: 334.41488
SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCC4=CC=CC=C4
Structure:
CAS RN: 129658-39-5
CAS Name: 2-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(heptylthio)benzene-1,4-diol hydroiodide
OPENEYE Name: 2-[1-[(dimethylamino)methyl]-2-methyl-propyl]-5-heptylsulfanyl-benzene-1,4-diol hydroiodide
IUPAC Name: 2-[1-(dimethylamino)-3-methylbutan-2-yl]-5-heptylsulfanylbenzene-1,4-diol hydroiodide
SYSTEMATIC NAME: 2-[1-(dimethylamino)-3-methyl-butan-2-yl]-5-heptylsulfanyl-benzene-1,4-diol hydroiodide
MOLECULAR FORMULA: C20H36INO2S
MOLECULAR WEIGHT: 481.47481
SMILES: CCCCCCCSC1=C(C=C(C(=C1)O)C(CN(C)C)C(C)C)O.I
Structure:
CAS RN: 129658-08-8
CAS Name: 2-[2,5-dimethoxy-4-(pentylthio)phenyl]acetic acid
OPENEYE Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)acetic acid
IUPAC Name: 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)acetic acid
SYSTEMATIC NAME: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethanoic acid
MOLECULAR FORMULA: C15H22O4S
MOLECULAR WEIGHT: 298.39778
SMILES: CCCCCSC1=C(C=C(C(=C1)OC)CC(=O)O)OC
Structure:
CAS RN: 129603-00-5
CAS Name: 1-(4-methyl-1-piperazinyl)-2-[4-(propan-2-ylthio)phenyl]-1-propanone hydrochloride
OPENEYE Name: 2-(4-isopropylsulfanylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride
IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C17H27ClN2OS
MOLECULAR WEIGHT: 342.92708
SMILES: CC(C)SC1=CC=C(C=C1)C(C)C(=O)N2CCN(CC2)C.Cl
Structure:
CAS RN: 129602-95-5
CAS Name: 2-[4-(propan-2-ylthio)phenyl]propanamide
OPENEYE Name: 2-(4-isopropylsulfanylphenyl)propanamide
IUPAC Name: 2-(4-propan-2-ylsulfanylphenyl)propanamide
SYSTEMATIC NAME: 2-(4-propan-2-ylsulfanylphenyl)propanamide
MOLECULAR FORMULA: C12H17NOS
MOLECULAR WEIGHT: 223.33448
SMILES: CC(C)SC1=CC=C(C=C1)C(C)C(=O)N
Structure:
CAS RN: 129602-93-3
CAS Name: 2-[4-(propan-2-ylthio)phenyl]propanoic acid
OPENEYE Name: 2-(4-isopropylsulfanylphenyl)propanoic acid
IUPAC Name: 2-(4-propan-2-ylsulfanylphenyl)propanoic acid
SYSTEMATIC NAME: 2-(4-propan-2-ylsulfanylphenyl)propanoic acid
MOLECULAR FORMULA: C12H16O2S
MOLECULAR WEIGHT: 224.31924
SMILES: CC(C)SC1=CC=C(C=C1)C(C)C(=O)O
Structure:
CAS RN: 129521-53-5
CAS Name: 2-ethyl-4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-one
OPENEYE Name: 2-ethyl-4-methyl-5-(2-thienyl)-1,2,4-triazol-3-one
IUPAC Name: 2-ethyl-4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2-ethyl-4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-one
MOLECULAR FORMULA: C9H11N3OS
MOLECULAR WEIGHT: 209.26814
SMILES: CCN1C(=O)N(C(=N1)C2=CC=CS2)C
Structure:
CAS RN: 129521-52-4
CAS Name: 2,4-dimethyl-5-thiophen-2-yl-1,2,4-triazol-3-one
OPENEYE Name: 2,4-dimethyl-5-(2-thienyl)-1,2,4-triazol-3-one
IUPAC Name: 2,4-dimethyl-5-thiophen-2-yl-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2,4-dimethyl-5-thiophen-2-yl-1,2,4-triazol-3-one
MOLECULAR FORMULA: C8H9N3OS
MOLECULAR WEIGHT: 195.24156
SMILES: CN1C(=NN(C1=O)C)C2=CC=CS2
Structure:
CAS RN: 129521-51-3
CAS Name: 5-(4-methoxyphenyl)-2,4-dimethyl-1,2,4-triazol-3-one
OPENEYE Name: 5-(4-methoxyphenyl)-2,4-dimethyl-1,2,4-triazol-3-one
IUPAC Name: 5-(4-methoxyphenyl)-2,4-dimethyl-1,2,4-triazol-3-one
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-2,4-dimethyl-1,2,4-triazol-3-one
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CN1C(=NN(C1=O)C)C2=CC=C(C=C2)OC
Structure:
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