Product OPENEYE NAME: 2-(2-chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Name: 2-(2-chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-(2-chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-(2-chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C7H4Cl7N3
MOLECULAR WEIGHT: 378.29776
SMILES: C(CCl)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
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Product OPENEYE NAME: ethyl 2-(benzyloxycarbonylamino)acetate
CAS Name: 2-(phenylmethoxycarbonylamino)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(phenylmethoxycarbonylamino)acetate
SYSTEMATIC NAME: ethyl 2-(phenylmethoxycarbonylamino)ethanoate
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CCOC(=O)CNC(=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: 5-[4-(dimethylamino)but-2-ynyl]-5-ethyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-[4-(dimethylamino)but-2-ynyl]-5-ethyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-[4-(dimethylamino)but-2-ynyl]-5-ethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[4-(dimethylamino)but-2-ynyl]-5-ethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H17N3O3
MOLECULAR WEIGHT: 251.28168
SMILES: CCC1(C(=O)NC(=O)NC1=O)CC#CCN(C)C
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Product OPENEYE NAME: 2-(4-bromophenyl)indane-1,3-dione
CAS Name: 2-(4-bromophenyl)indene-1,3-dione
IUPAC NAME: 2-(4-bromophenyl)indene-1,3-dione
SYSTEMATIC NAME: 2-(4-bromophenyl)indene-1,3-dione
MOLECULAR FORMULA: C15H9BrO2
MOLECULAR WEIGHT: 301.13476
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 2-benzoyl-5-chloro-benzoic acid
CAS Name: 2-benzoyl-5-chlorobenzoic acid
IUPAC NAME: 2-benzoyl-5-chlorobenzoic acid
SYSTEMATIC NAME: 5-chloranyl-2-(phenylcarbonyl)benzoic acid
MOLECULAR FORMULA: C14H9ClO3
MOLECULAR WEIGHT: 260.67246
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)C(=O)O
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Product OPENEYE NAME: N-(5-hydroxy-9H-fluoren-2-yl)acetamide
CAS Name: N-(5-hydroxy-9H-fluoren-2-yl)acetamide
IUPAC NAME: N-(5-hydroxy-9H-fluoren-2-yl)acetamide
SYSTEMATIC NAME: N-(5-oxidanyl-9H-fluoren-2-yl)ethanamide
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=CC=C3O
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Product OPENEYE NAME: 1-(p-tolyl)-2-pyrrolidin-1-yl-pentan-1-one hydrochloride
CAS Name: 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-1-pentanone hydrochloride
IUPAC NAME: 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one hydrochloride
MOLECULAR FORMULA: C16H24ClNO
MOLECULAR WEIGHT: 281.82086
SMILES: CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2.Cl
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Product OPENEYE NAME: 1-(p-tolyl)-2-pyrrolidin-1-yl-pentan-1-one
CAS Name: 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-1-pentanone
IUPAC NAME: 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one
SYSTEMATIC NAME: 1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
MOLECULAR FORMULA: C16H23NO
MOLECULAR WEIGHT: 245.35992
SMILES: CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2
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Product OPENEYE NAME: N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine
CAS Name: N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine
IUPAC NAME: N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: CCN(CC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[3-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
CAS Name: 3-[3-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
IUPAC NAME: 3-[3-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[3-[2-chloroethyl(2-fluoranylethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C13H17ClFNO2
MOLECULAR WEIGHT: 273.730983
SMILES: C1=CC(=CC(=C1)N(CCF)CCCl)CCC(=O)O
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Product OPENEYE NAME: 3-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
CAS Name: 3-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
IUPAC NAME: 3-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[3-[bis(2-fluoranylethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C13H17F2NO2
MOLECULAR WEIGHT: 257.276386
SMILES: C1=CC(=CC(=C1)N(CCF)CCF)CCC(=O)O
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Product OPENEYE NAME: dibenzyl(2-bromoethyl)ammonium chloride
CAS Name: 2-bromoethyl-bis(phenylmethyl)ammonium chloride
IUPAC NAME: dibenzyl(2-bromoethyl)azanium chloride
SYSTEMATIC NAME: 2-bromoethyl-bis(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C16H19BrClN
MOLECULAR WEIGHT: 340.68576
SMILES: C1=CC=C(C=C1)C[NH+](CCBr)CC2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: N,N-dibenzyl-2-bromo-ethanamine
CAS Name: 2-bromo-N,N-bis(phenylmethyl)ethanamine
IUPAC NAME: N,N-dibenzyl-2-bromoethanamine
SYSTEMATIC NAME: 2-bromanyl-N,N-bis(phenylmethyl)ethanamine
MOLECULAR FORMULA: C16H18BrN
MOLECULAR WEIGHT: 304.22482
SMILES: C1=CC=C(C=C1)CN(CCBr)CC2=CC=CC=C2
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Product OPENEYE NAME: 4-(3-azabicyclo[3.2.2]nonan-3-ylsulfonyl)aniline
CAS Name: 4-(3-azabicyclo[3.2.2]nonan-3-ylsulfonyl)aniline
IUPAC NAME: 4-(3-azabicyclo[3.2.2]nonan-3-ylsulfonyl)aniline
SYSTEMATIC NAME: 4-(3-azabicyclo[3.2.2]nonan-3-ylsulfonyl)aniline
MOLECULAR FORMULA: C14H20N2O2S
MOLECULAR WEIGHT: 280.3858
SMILES: C1CC2CCC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)N
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Product OPENEYE NAME: calcium 3-[3-(dimethylaminomethyleneamino)-2,4,6-triiodo-phenyl]propanoate
CAS Name: calcium 3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate
IUPAC NAME: calcium 3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate
SYSTEMATIC NAME: calcium 3-[3-(dimethylaminomethylideneamino)-2,4,6-tris(iodanyl)phenyl]propanoate
MOLECULAR FORMULA: C24H24CaI6N4O4
MOLECULAR WEIGHT: 1233.97658
SMILES: CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.[Ca+2]
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Product OPENEYE NAME: diphenylarsorylbenzene
CAS Name: diphenylarsorylbenzene
IUPAC NAME: diphenylarsorylbenzene
SYSTEMATIC NAME: diphenylarsorylbenzene
MOLECULAR FORMULA: C18H15AsO
MOLECULAR WEIGHT: 322.2327
SMILES: C1=CC=C(C=C1)[As](=O)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 5-ethyl-5-(4-pyrrolidin-1-ylbut-2-ynyl)hexahydropyrimidine-2,4,6-trione
CAS Name: 5-ethyl-5-[4-(1-pyrrolidinyl)but-2-ynyl]-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-ethyl-5-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C14H19N3O3
MOLECULAR WEIGHT: 277.31896
SMILES: CCC1(C(=O)NC(=O)NC1=O)CC#CCN2CCCC2
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Product OPENEYE NAME: 3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxy-benzamide
CAS Name: 3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide
IUPAC NAME: 3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(chloranyl)-N-(3,4-dichlorophenyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C13H7Cl4NO2
MOLECULAR WEIGHT: 351.01218
SMILES: C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2O)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-thiazol-2-yl-ethane-1,2-diamine hydrochloride
CAS Name: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-thiazolyl)ethane-1,2-diamine hydrochloride
IUPAC NAME: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C15H22ClN3OS
MOLECULAR WEIGHT: 327.87268
SMILES: CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CS2.Cl
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Product OPENEYE NAME: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-thiazol-2-yl-ethane-1,2-diamine
CAS Name: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-thiazolyl)ethane-1,2-diamine
IUPAC NAME: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C15H21N3OS
MOLECULAR WEIGHT: 291.41174
SMILES: CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CS2
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H14O
MOLECULAR WEIGHT: 258.31386
SMILES: CC1=C2C3C(O3)C4=CC=CC=C4C2=CC5=CC=CC=C15
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Product OPENEYE NAME: 4-(diethylamino)-N-(5-ethyl-2-methoxy-phenyl)butanamide
CAS Name: 4-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)butanamide
IUPAC NAME: 4-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)butanamide
SYSTEMATIC NAME: 4-(diethylamino)-N-(5-ethyl-2-methoxy-phenyl)butanamide
MOLECULAR FORMULA: C17H28N2O2
MOLECULAR WEIGHT: 292.41642
SMILES: CCC1=CC(=C(C=C1)OC)NC(=O)CCCN(CC)CC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO
MOLECULAR WEIGHT: 295.4186
SMILES: CN(C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O
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Product OPENEYE NAME: 1-(1-bromo-2,2-diphenyl-vinyl)-3-fluoro-benzene
CAS Name: 1-(1-bromo-2,2-diphenylethenyl)-3-fluorobenzene
IUPAC NAME: 1-(1-bromo-2,2-diphenylethenyl)-3-fluorobenzene
SYSTEMATIC NAME: 1-(1-bromanyl-2,2-diphenyl-ethenyl)-3-fluoranyl-benzene
MOLECULAR FORMULA: C20H14BrF
MOLECULAR WEIGHT: 353.227563
SMILES: C1=CC=C(C=C1)C(=C(C2=CC(=CC=C2)F)Br)C3=CC=CC=C3
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