CAS RN: 10247-92-4
CAS Name: 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)urea
MOLECULAR FORMULA: C11H15ClN2O3
MOLECULAR WEIGHT: 258.7014
SMILES: COC1=CC=CC(=C1OC)NC(=O)NCCCl
Structure:
CAS RN: 102395-99-3
CAS Name: 3-(4,5-dihydrooxazol-2-ylamino)-4-methylbenzoic acid methyl ester
OPENEYE Name: methyl 3-(4,5-dihydrooxazol-2-ylamino)-4-methyl-benzoate
IUPAC Name: methyl 3-(4,5-dihydro-1,3-oxazol-2-ylamino)-4-methylbenzoate
SYSTEMATIC NAME: methyl 3-(4,5-dihydro-1,3-oxazol-2-ylamino)-4-methyl-benzoate
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: CC1=C(C=C(C=C1)C(=O)OC)NC2=NCCO2
Structure:
CAS RN: 53159-76-5
CAS Name: 1-(2-pyridinyl)-2-imidazolidinone
OPENEYE Name: 1-(2-pyridyl)imidazolidin-2-one
IUPAC Name: 1-pyridin-2-ylimidazolidin-2-one
SYSTEMATIC NAME: 1-pyridin-2-ylimidazolidin-2-one
MOLECULAR FORMULA: C8H9N3O
MOLECULAR WEIGHT: 163.17656
SMILES: C1CN(C(=O)N1)C2=CC=CC=N2
Structure:
CAS RN: 102586-25-4
CAS Name: N-(1,3-diphenylpropan-2-yl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-(1-benzyl-2-phenyl-ethyl)-4,5-dihydrooxazol-2-amine
IUPAC Name: N-(1,3-diphenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-(1,3-diphenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C18H20N2O
MOLECULAR WEIGHT: 280.3642
SMILES: C1COC(=N1)NC(CC2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 34844-36-5
CAS Name: 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)-1-butanone
OPENEYE Name: 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)butan-1-one
IUPAC Name: 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one
SYSTEMATIC NAME: 2-ethyl-4,4,4-tris(fluoranyl)-3-oxidanyl-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one
MOLECULAR FORMULA: C11H10F6O2S
MOLECULAR WEIGHT: 320.251319
SMILES: CCC(C(=O)C1=CC=CS1)C(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 102434-05-9
CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylphenyl)urea
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylphenyl)urea
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylphenyl)urea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylphenyl)urea
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CC1=C(C(=CC=C1)C)NC(=O)NC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 35632-65-6
CAS Name: 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
OPENEYE Name: 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
IUPAC Name: 1-(2,5-dichlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)but-2-en-1-one
MOLECULAR FORMULA: C11H4Cl2F6O
MOLECULAR WEIGHT: 337.045279
SMILES: C1=CC(=C(C=C1Cl)C(=O)C=C(C(F)(F)F)C(F)(F)F)Cl
Structure:
CAS RN: 35088-71-2
CAS Name: 1-(4-bromophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)-1-butanone
OPENEYE Name: 1-(4-bromophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one
IUPAC Name: 1-(4-bromophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one
SYSTEMATIC NAME: 1-(4-bromophenyl)-4,4,4-tris(fluoranyl)-2-methyl-3-oxidanyl-3-(trifluoromethyl)butan-1-one
MOLECULAR FORMULA: C12H9BrF6O2
MOLECULAR WEIGHT: 379.093079
SMILES: CC(C(=O)C1=CC=C(C=C1)Br)C(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 35087-75-3
CAS Name: 1-(4-chlorophenyl)-2-ethyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-butanone
OPENEYE Name: 1-(4-chlorophenyl)-2-ethyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
IUPAC Name: 1-(4-chlorophenyl)-2-ethyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-ethyl-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butan-1-one
MOLECULAR FORMULA: C13H11ClF6O2
MOLECULAR WEIGHT: 348.668659
SMILES: CCC(C(=O)C1=CC=C(C=C1)Cl)C(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 3508-73-4
CAS Name: 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)-1-butanone
OPENEYE Name: 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one
IUPAC Name: 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4,4,4-tris(fluoranyl)-2-methyl-3-oxidanyl-3-(trifluoromethyl)butan-1-one
MOLECULAR FORMULA: C12H9ClF6O2
MOLECULAR WEIGHT: 334.642079
SMILES: CC(C(=O)C1=CC=C(C=C1)Cl)C(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 102434-17-3
CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea
MOLECULAR FORMULA: C10H11BrN2O3
MOLECULAR WEIGHT: 287.10994
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)NCCBr
Structure:
CAS RN: 4224-00-4
CAS Name: acetic acid (1,3-dioxo-4-isobenzofuranyl) ester
OPENEYE Name: (1,3-dioxoisobenzofuran-4-yl) acetate
IUPAC Name: (1,3-dioxo-2-benzofuran-4-yl) acetate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)-2-benzofuran-4-yl] ethanoate
MOLECULAR FORMULA: C10H6O5
MOLECULAR WEIGHT: 206.15164
SMILES: CC(=O)OC1=CC=CC2=C1C(=O)OC2=O
Structure:
CAS RN: 101976-15-2
CAS Name: acetic acid (1,3-dioxo-4-isobenzofuranyl) ester
OPENEYE Name: (1,3-dioxoisobenzofuran-4-yl) acetate
IUPAC Name: (1,3-dioxo-2-benzofuran-4-yl) acetate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)-2-benzofuran-4-yl] ethanoate
MOLECULAR FORMULA: C10H6O5
MOLECULAR WEIGHT: 206.15164
SMILES: CC(=O)OC1=CC=CC2=C1C(=O)OC2=O
Structure:
CAS RN: 101976-39-0
CAS Name: 1,1,1-trifluoro-4-(4-methylphenyl)-2-(trifluoromethyl)pentane-2,4-diol
OPENEYE Name: 1,1,1-trifluoro-4-(p-tolyl)-2-(trifluoromethyl)pentane-2,4-diol
IUPAC Name: 1,1,1-trifluoro-4-(4-methylphenyl)-2-(trifluoromethyl)pentane-2,4-diol
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)-4-(4-methylphenyl)-2-(trifluoromethyl)pentane-2,4-diol
MOLECULAR FORMULA: C13H14F6O2
MOLECULAR WEIGHT: 316.239479
SMILES: CC1=CC=C(C=C1)C(C)(CC(C(F)(F)F)(C(F)(F)F)O)O
Structure:
CAS RN: 101976-28-7
CAS Name: 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane-2,4-diol
OPENEYE Name: 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane-2,4-diol
IUPAC Name: 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane-2,4-diol
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)-4-methyl-2-(trifluoromethyl)pentane-2,4-diol
MOLECULAR FORMULA: C7H10F6O2
MOLECULAR WEIGHT: 240.143519
SMILES: CC(C)(CC(C(F)(F)F)(C(F)(F)F)O)O
Structure:
CAS RN: 10249-33-9
CAS Name: 1-(2-chloroethyl)-3-(2,6-dimethyl-1-piperidinyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2,6-dimethyl-1-piperidyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2,6-dimethylpiperidin-1-yl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2,6-dimethylpiperidin-1-yl)urea
MOLECULAR FORMULA: C10H20ClN3O
MOLECULAR WEIGHT: 233.7383
SMILES: CC1CCCC(N1NC(=O)NCCCl)C
Structure:
CAS RN: 10225-31-7
CAS Name: 6-methyl-3-[4,4,4-trifluoro-3-hydroxy-1-oxo-3-(trifluoromethyl)butyl]pyran-2,4-dione
OPENEYE Name: 6-methyl-3-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]pyran-2,4-dione
IUPAC Name: 6-methyl-3-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]pyran-2,4-dione
SYSTEMATIC NAME: 6-methyl-3-[4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanoyl]pyran-2,4-dione
MOLECULAR FORMULA: C11H8F6O5
MOLECULAR WEIGHT: 334.168639
SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 102434-26-4
CAS Name: 1-(2-bromoethyl)-3-(9H-fluoren-1-yl)urea
OPENEYE Name: 1-(2-bromoethyl)-3-(9H-fluoren-1-yl)urea
IUPAC Name: 1-(2-bromoethyl)-3-(9H-fluoren-1-yl)urea
SYSTEMATIC NAME: 1-(2-bromoethyl)-3-(9H-fluoren-1-yl)urea
MOLECULAR FORMULA: C16H15BrN2O
MOLECULAR WEIGHT: 331.2071
SMILES: C1C2=CC=CC=C2C3=C1C(=CC=C3)NC(=O)NCCBr
Structure:
CAS RN: 35559-12-7
CAS Name: 1,3-dichloro-2-(diethoxymethyl)benzene
OPENEYE Name: 1,3-dichloro-2-(diethoxymethyl)benzene
IUPAC Name: 1,3-dichloro-2-(diethoxymethyl)benzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2-(diethoxymethyl)benzene
MOLECULAR FORMULA: C11H14Cl2O2
MOLECULAR WEIGHT: 249.13366
SMILES: CCOC(C1=C(C=CC=C1Cl)Cl)OCC
Structure:
CAS RN: 51314-49-9
CAS Name: 2,2-dimethyl-3-(4-morpholinyl)thietane 1,1-dioxide
OPENEYE Name: 2,2-dimethyl-3-morpholino-thietane 1,1-dioxide
IUPAC Name: 2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide
SYSTEMATIC NAME: 2,2-dimethyl-3-morpholin-4-yl-thietane 1,1-dioxide
MOLECULAR FORMULA: C9H17NO3S
MOLECULAR WEIGHT: 219.30118
SMILES: CC1(C(CS1(=O)=O)N2CCOCC2)C
Structure:
CAS RN: 102433-37-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H19ClN2O
MOLECULAR WEIGHT: 314.80926
SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)NC(=O)NCCCl
Structure:
CAS RN: 1003-52-7
CAS Name: 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
MOLECULAR FORMULA: C12H17ClN2O3
MOLECULAR WEIGHT: 272.72798
SMILES: COC1=C(C=C(C=C1)CNC(=O)NCCCl)OC
Structure:
CAS RN: 102259-61-0
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydrooxazol-2-amine
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydrooxazol-2-amine
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C1COC(=N1)NCC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 34848-29-8
CAS Name: 4,4,4-trifluoro-2-octyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
OPENEYE Name: 4,4,4-trifluoro-2-octyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
IUPAC Name: 4,4,4-trifluoro-2-octyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
SYSTEMATIC NAME: 4,4,4-tris(fluoranyl)-2-octyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
MOLECULAR FORMULA: C19H26F6O2
MOLECULAR WEIGHT: 400.398959
SMILES: CCCCCCCCC(C(C1=CC=CC=C1)O)C(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 35736-25-5
CAS Name: 1-(4-chloro-1-naphthalenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
OPENEYE Name: 1-(4-chloro-1-naphthyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
IUPAC Name: 1-(4-chloronaphthalen-1-yl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
SYSTEMATIC NAME: 1-(4-chloranylnaphthalen-1-yl)-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)but-2-en-1-one
MOLECULAR FORMULA: C15H7ClF6O
MOLECULAR WEIGHT: 352.658899
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)C=C(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 4143-00-4
CAS Name: 1-(2-chloroethyl)-3-(2-chloro-6-methylphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2-chloro-6-methyl-phenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-chloro-6-methylphenyl)urea
SYSTEMATIC NAME: 1-(2-chloranyl-6-methyl-phenyl)-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C10H12Cl2N2O
MOLECULAR WEIGHT: 247.12108
SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)NCCCl
Structure:
CAS RN: 102433-33-0
CAS Name: 1-(2-chloroethyl)-3-(2-chloro-6-methylphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2-chloro-6-methyl-phenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-chloro-6-methylphenyl)urea
SYSTEMATIC NAME: 1-(2-chloranyl-6-methyl-phenyl)-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C10H12Cl2N2O
MOLECULAR WEIGHT: 247.12108
SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)NCCCl
Structure:
CAS RN: 55334-30-0
CAS Name: 1-(3-bromopropyl)-2-chlorobenzene
OPENEYE Name: 1-(3-bromopropyl)-2-chloro-benzene
IUPAC Name: 1-(3-bromopropyl)-2-chlorobenzene
SYSTEMATIC NAME: 1-(3-bromanylpropyl)-2-chloranyl-benzene
MOLECULAR FORMULA: C9H10BrCl
MOLECULAR WEIGHT: 233.5327
SMILES: C1=CC=C(C(=C1)CCCBr)Cl
Structure:
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