CAS RN: 14870-72-5
CAS Name: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
OPENEYE Name: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
IUPAC Name: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
MOLECULAR FORMULA: C8H18N2+2
MOLECULAR WEIGHT: 142.24192
SMILES: C[N+]12CC[N+](CC1)(CC2)C
Structure:
CAS RN: 5450-74-8
CAS Name: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
OPENEYE Name: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
IUPAC Name: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
MOLECULAR FORMULA: C8H18N2+2
MOLECULAR WEIGHT: 142.24192
SMILES: C[N+]12CC[N+](CC1)(CC2)C
Structure:
CAS RN: 5463-75-2
CAS Name: tris(1-ethynylcyclohexyl) borate
OPENEYE Name: tris(1-ethynylcyclohexyl) borate
IUPAC Name: tris(1-ethynylcyclohexyl) borate
SYSTEMATIC NAME: tris(1-ethynylcyclohexyl) borate
MOLECULAR FORMULA: C24H33BO3
MOLECULAR WEIGHT: 380.32802
SMILES: B(OC1(CCCCC1)C#C)(OC2(CCCCC2)C#C)OC3(CCCCC3)C#C
Structure:
CAS RN: 5438-95-9
CAS Name: 1,3-bis(4-methoxyphenyl)-2,3-bis(4-morpholinyl)-1-propanone
OPENEYE Name: 1,3-bis(4-methoxyphenyl)-2,3-dimorpholino-propan-1-one
IUPAC Name: 1,3-bis(4-methoxyphenyl)-2,3-dimorpholin-4-ylpropan-1-one
SYSTEMATIC NAME: 1,3-bis(4-methoxyphenyl)-2,3-dimorpholin-4-yl-propan-1-one
MOLECULAR FORMULA: C25H32N2O5
MOLECULAR WEIGHT: 440.53198
SMILES: COC1=CC=C(C=C1)C(C(C(=O)C2=CC=C(C=C2)OC)N3CCOCC3)N4CCOCC4
Structure:
CAS RN: 107416-49-9
CAS Name: 2-phenyl-2-(1-piperidinyl)acetic acid
OPENEYE Name: 2-phenyl-2-(1-piperidyl)acetic acid
IUPAC Name: 2-phenyl-2-piperidin-1-ylacetic acid
SYSTEMATIC NAME: 2-phenyl-2-piperidin-1-yl-ethanoic acid
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1CCN(CC1)C(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 5427-09-8
CAS Name: 1-methyl-2-[(triphenylmethyl)thio]benzene
OPENEYE Name: 1-methyl-2-tritylsulfanyl-benzene
IUPAC Name: 1-methyl-2-tritylsulfanylbenzene
SYSTEMATIC NAME: 1-methyl-2-(triphenylmethyl)sulfanyl-benzene
MOLECULAR FORMULA: C26H22S
MOLECULAR WEIGHT: 366.51788
SMILES: CC1=CC=CC=C1SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 2752-52-5
CAS Name: 3-methyl-2-[(1-oxo-2-phenylethyl)amino]pentanoic acid
OPENEYE Name: 3-methyl-2-[(2-phenylacetyl)amino]pentanoic acid
IUPAC Name: 3-methyl-2-[(2-phenylacetyl)amino]pentanoic acid
SYSTEMATIC NAME: 3-methyl-2-(2-phenylethanoylamino)pentanoic acid
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CCC(C)C(C(=O)O)NC(=O)CC1=CC=CC=C1
Structure:
CAS RN: 14432-21-4
CAS Name: 2-amino-N-cyclohexylacetamide
OPENEYE Name: 2-amino-N-cyclohexyl-acetamide
IUPAC Name: 2-amino-N-cyclohexylacetamide
SYSTEMATIC NAME: 2-azanyl-N-cyclohexyl-ethanamide
MOLECULAR FORMULA: C8H16N2O
MOLECULAR WEIGHT: 156.22544
SMILES: C1CCC(CC1)NC(=O)CN
Structure:
CAS RN: 5442-29-5
CAS Name: 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoic acid ethyl ester
OPENEYE Name: ethyl 3-acetoxy-3-(1,3-benzodioxol-5-yl)-2-phenyl-propanoate
IUPAC Name: ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate
SYSTEMATIC NAME: ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenyl-propanoate
MOLECULAR FORMULA: C20H20O6
MOLECULAR WEIGHT: 356.3692
SMILES: CCOC(=O)C(C1=CC=CC=C1)C(C2=CC3=C(C=C2)OCO3)OC(=O)C
Structure:
CAS RN: 5429-97-0
CAS Name: 2,3-bis(4-morpholinyl)-3-phenyl-1-[4-(2-phenylethyl)phenyl]-1-propanone
OPENEYE Name: 2,3-dimorpholino-3-phenyl-1-[4-(2-phenylethyl)phenyl]propan-1-one
IUPAC Name: 2,3-dimorpholin-4-yl-3-phenyl-1-[4-(2-phenylethyl)phenyl]propan-1-one
SYSTEMATIC NAME: 2,3-dimorpholin-4-yl-3-phenyl-1-[4-(2-phenylethyl)phenyl]propan-1-one
MOLECULAR FORMULA: C31H36N2O3
MOLECULAR WEIGHT: 484.62914
SMILES: C1COCCN1C(C2=CC=CC=C2)C(C(=O)C3=CC=C(C=C3)CCC4=CC=CC=C4)N5CCOCC5
Structure:
CAS RN: 5429-78-7
CAS Name: 4-[(7-chloro-3-methyl-4-quinolinyl)amino]-2-(diethylaminomethyl)phenol
OPENEYE Name: 4-[(7-chloro-3-methyl-4-quinolyl)amino]-2-(diethylaminomethyl)phenol
IUPAC Name: 4-[(7-chloro-3-methylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
SYSTEMATIC NAME: 4-[(7-chloranyl-3-methyl-quinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
MOLECULAR FORMULA: C21H24ClN3O
MOLECULAR WEIGHT: 369.88776
SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2C)Cl)O
Structure:
CAS RN: 5429-36-7
CAS Name: 2-(diethylamino)-N-[4-(hydroxymethyl)phenyl]acetamide
OPENEYE Name: 2-(diethylamino)-N-[4-(hydroxymethyl)phenyl]acetamide
IUPAC Name: 2-(diethylamino)-N-[4-(hydroxymethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-(diethylamino)-N-[4-(hydroxymethyl)phenyl]ethanamide
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: CCN(CC)CC(=O)NC1=CC=C(C=C1)CO
Structure:
CAS RN: 5425-81-0
CAS Name: 2-amino-1-(4-nitrophenyl)ethanone
OPENEYE Name: 2-amino-1-(4-nitrophenyl)ethanone
IUPAC Name: 2-amino-1-(4-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-azanyl-1-(4-nitrophenyl)ethanone
MOLECULAR FORMULA: C8H8N2O3
MOLECULAR WEIGHT: 180.16072
SMILES: C1=CC(=CC=C1C(=O)CN)[N+](=O)[O-]
Structure:
CAS RN: 5442-86-4
CAS Name: 1-(9-bromo-3-phenanthrenyl)-3-(dipentylamino)-1-propanone
OPENEYE Name: 1-(9-bromo-3-phenanthryl)-3-(dipentylamino)propan-1-one
IUPAC Name: 1-(9-bromophenanthren-3-yl)-3-(dipentylamino)propan-1-one
SYSTEMATIC NAME: 1-(9-bromanylphenanthren-3-yl)-3-(dipentylamino)propan-1-one
MOLECULAR FORMULA: C27H34BrNO
MOLECULAR WEIGHT: 468.46896
SMILES: CCCCCN(CCCCC)CCC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br
Structure:
CAS RN: 5430-30-8
CAS Name: 2-(4-arsonophenyl)-2-hydroxyacetic acid
OPENEYE Name: 2-(4-arsonophenyl)-2-hydroxy-acetic acid
IUPAC Name: 2-(4-arsonophenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(4-arsonophenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C8H9AsO6
MOLECULAR WEIGHT: 276.07506
SMILES: C1=CC(=CC=C1C(C(=O)O)O)[As](=O)(O)O
Structure:
CAS RN: 5430-20-6
CAS Name: 4-stibonobenzenesulfonic acid
OPENEYE Name: 4-stibonobenzenesulfonic acid
IUPAC Name: 4-stibonobenzenesulfonic acid
SYSTEMATIC NAME: 4-stibonobenzenesulfonic acid
MOLECULAR FORMULA: C6H7O6SSb
MOLECULAR WEIGHT: 328.94118
SMILES: C1=CC(=CC=C1S(=O)(=O)O)[Sb](=O)(O)O
Structure:
CAS RN: 5463-36-5
CAS Name: 4-methyl-6-[[4-methyl-2-(1-piperidinyl)-6-quinolinyl]methyl]-2-(1-piperidinyl)quinoline
OPENEYE Name: 4-methyl-6-[[4-methyl-2-(1-piperidyl)-6-quinolyl]methyl]-2-(1-piperidyl)quinoline
IUPAC Name: 4-methyl-6-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)methyl]-2-piperidin-1-ylquinoline
SYSTEMATIC NAME: 4-methyl-6-[(4-methyl-2-piperidin-1-yl-quinolin-6-yl)methyl]-2-piperidin-1-yl-quinoline
MOLECULAR FORMULA: C31H36N4
MOLECULAR WEIGHT: 464.64434
SMILES: CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCCCC5)N6CCCCC6
Structure:
CAS RN: 5442-71-7
CAS Name: 4-[4-methyl-6-[[4-methyl-2-(4-morpholinyl)-6-quinolinyl]methyl]-2-quinolinyl]morpholine
OPENEYE Name: 4-[4-methyl-6-[(4-methyl-2-morpholino-6-quinolyl)methyl]-2-quinolyl]morpholine
IUPAC Name: 4-[4-methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine
SYSTEMATIC NAME: 4-[4-methyl-6-[(4-methyl-2-morpholin-4-yl-quinolin-6-yl)methyl]quinolin-2-yl]morpholine
MOLECULAR FORMULA: C29H32N4O2
MOLECULAR WEIGHT: 468.58998
SMILES: CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCOCC5)N6CCOCC6
Structure:
CAS RN: 5431-59-4
CAS Name: N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
OPENEYE Name: N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethyl-propane-1,3-diamine
IUPAC Name: N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
SYSTEMATIC NAME: N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethyl-propane-1,3-diamine
MOLECULAR FORMULA: C19H27N3O
MOLECULAR WEIGHT: 313.43718
SMILES: CN(C)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)OC
Structure:
CAS RN: 5431-22-1
CAS Name: 4-(2,4-diamino-6-imino-1,3,5-triazin-1-yl)benzenesulfonamide
OPENEYE Name: 4-(2,4-diamino-6-imino-1,3,5-triazin-1-yl)benzenesulfonamide
IUPAC Name: 4-(2,4-diamino-6-imino-1,3,5-triazin-1-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-[2,4-bis(azanyl)-6-azanylidene-1,3,5-triazin-1-yl]benzenesulfonamide
MOLECULAR FORMULA: C9H11N7O2S
MOLECULAR WEIGHT: 281.29434
SMILES: C1=CC(=CC=C1N2C(=NC(=NC2=N)N)N)S(=O)(=O)N
Structure:
CAS RN: 5429-25-4
CAS Name: 6-methoxy-N-[2-(2-piperidinyl)ethyl]-8-quinolinamine
OPENEYE Name: 6-methoxy-N-[2-(2-piperidyl)ethyl]quinolin-8-amine
IUPAC Name: 6-methoxy-N-(2-piperidin-2-ylethyl)quinolin-8-amine
SYSTEMATIC NAME: 6-methoxy-N-(2-piperidin-2-ylethyl)quinolin-8-amine
MOLECULAR FORMULA: C17H23N3O
MOLECULAR WEIGHT: 285.38402
SMILES: COC1=CC(=C2C(=C1)C=CC=N2)NCCC3CCCCN3
Structure:
CAS RN: 5428-74-0
CAS Name: (2,6-dichlorophenyl)-(2-pyridinyl)methanol
OPENEYE Name: (2,6-dichlorophenyl)-(2-pyridyl)methanol
IUPAC Name: (2,6-dichlorophenyl)-pyridin-2-ylmethanol
SYSTEMATIC NAME: [2,6-bis(chloranyl)phenyl]-pyridin-2-yl-methanol
MOLECULAR FORMULA: C12H9Cl2NO
MOLECULAR WEIGHT: 254.11196
SMILES: C1=CC=NC(=C1)C(C2=C(C=CC=C2Cl)Cl)O
Structure:
CAS RN: 7032-37-3
CAS Name: 4-(1,2,3,4-tetrahydroacridin-9-yl)morpholine
OPENEYE Name: 4-(1,2,3,4-tetrahydroacridin-9-yl)morpholine
IUPAC Name: 4-(1,2,3,4-tetrahydroacridin-9-yl)morpholine
SYSTEMATIC NAME: 4-(1,2,3,4-tetrahydroacridin-9-yl)morpholine
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N4CCOCC4
Structure:
CAS RN: 4954-65-8
CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(didecylamino)ethanone
OPENEYE Name: 1-(9-bromo-3-phenanthryl)-2-(didecylamino)ethanone
IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(didecylamino)ethanone
SYSTEMATIC NAME: 1-(9-bromanylphenanthren-3-yl)-2-(didecylamino)ethanone
MOLECULAR FORMULA: C36H52BrNO
MOLECULAR WEIGHT: 594.70818
SMILES: CCCCCCCCCCN(CCCCCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br
Structure:
CAS RN: 5423-98-3
CAS Name: 5-(bromomethyl)-2-methyl-4-pyrimidinamine
OPENEYE Name: 5-(bromomethyl)-2-methyl-pyrimidin-4-amine
IUPAC Name: 5-(bromomethyl)-2-methylpyrimidin-4-amine
SYSTEMATIC NAME: 5-(bromomethyl)-2-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C6H8BrN3
MOLECULAR WEIGHT: 202.05182
SMILES: CC1=NC=C(C(=N1)N)CBr
Structure:
CAS RN: 59004-61-4
CAS Name: 2-[(cyclohexylamino)methyl]-6-methoxyphenol
OPENEYE Name: 2-[(cyclohexylamino)methyl]-6-methoxy-phenol
IUPAC Name: 2-[(cyclohexylamino)methyl]-6-methoxyphenol
SYSTEMATIC NAME: 2-[(cyclohexylamino)methyl]-6-methoxy-phenol
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: COC1=CC=CC(=C1O)CNC2CCCCC2
Structure:
CAS RN: 6339-34-0
CAS Name: N-[(3-aminophenyl)-[(5-chloro-2-pyrimidinyl)amino]phosphoryl]-5-chloro-2-pyrimidinamine
OPENEYE Name: N-[(3-aminophenyl)-[(5-chloropyrimidin-2-yl)amino]phosphoryl]-5-chloro-pyrimidin-2-amine
IUPAC Name: N-[(3-aminophenyl)-[(5-chloropyrimidin-2-yl)amino]phosphoryl]-5-chloropyrimidin-2-amine
SYSTEMATIC NAME: N-[(3-aminophenyl)-[(5-chloranylpyrimidin-2-yl)amino]phosphoryl]-5-chloranyl-pyrimidin-2-amine
MOLECULAR FORMULA: C14H12Cl2N7OP
MOLECULAR WEIGHT: 396.171141
SMILES: C1=CC(=CC(=C1)P(=O)(NC2=NC=C(C=N2)Cl)NC3=NC=C(C=N3)Cl)N
Structure:
CAS RN: 5442-45-5
CAS Name: 2-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid
IUPAC Name: 2-methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid
SYSTEMATIC NAME: 2-methyl-2-[(4-nitrophenyl)carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C13H14N2O7
MOLECULAR WEIGHT: 310.25946
SMILES: CC(CCC(=O)O)(C(=O)O)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 21492-80-8
CAS Name: (4-aminophenyl)urea
OPENEYE Name: (4-aminophenyl)urea
IUPAC Name: (4-aminophenyl)urea
SYSTEMATIC NAME: 1-(4-aminophenyl)urea
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: C1=CC(=CC=C1N)NC(=O)N
Structure:
CAS RN: 809-39-2
CAS Name: (diphenylmethyl)-triphenylsilane
OPENEYE Name: benzhydryl(triphenyl)silane
IUPAC Name: benzhydryl(triphenyl)silane
SYSTEMATIC NAME: (diphenylmethyl)-triphenyl-silane
MOLECULAR FORMULA: C31H26Si
MOLECULAR WEIGHT: 426.62364
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 1123-76-8
CAS Name: chloro-(2-methoxycyclohexyl)mercury
OPENEYE Name: chloro-(2-methoxycyclohexyl)mercury
IUPAC Name: chloro-(2-methoxycyclohexyl)mercury
SYSTEMATIC NAME: chloranyl-(2-methoxycyclohexyl)mercury
MOLECULAR FORMULA: C7H13ClHgO
MOLECULAR WEIGHT: 349.22052
SMILES: COC1CCCCC1[Hg]Cl
Structure:
CAS RN: 5409-68-7
CAS Name: 4-[(6-chloro-2-methoxy-9-acridinyl)amino]-2-hydroxybenzoic acid
OPENEYE Name: 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-hydroxy-benzoic acid
IUPAC Name: 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C21H15ClN2O4
MOLECULAR WEIGHT: 394.8078
SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C=C4)C(=O)O)O
Structure:
CAS RN: 5409-64-3
CAS Name: N-[3-(2-aminoethyl)-4-methoxyphenyl]-7-chloro-4-quinolinamine
OPENEYE Name: N-[3-(2-aminoethyl)-4-methoxy-phenyl]-7-chloro-quinolin-4-amine
IUPAC Name: N-[3-(2-aminoethyl)-4-methoxyphenyl]-7-chloroquinolin-4-amine
SYSTEMATIC NAME: N-[3-(2-azanylethyl)-4-methoxy-phenyl]-7-chloranyl-quinolin-4-amine
MOLECULAR FORMULA: C18H18ClN3O
MOLECULAR WEIGHT: 327.80802
SMILES: COC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CCN
Structure:
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