Product OPENEYE NAME: N-(4,6-dimethylpyridin-1-ium-2-yl)-2-hydroxy-2-phenyl-acetamide chloride
CAS Name: N-(4,6-dimethyl-2-pyridin-1-iumyl)-2-hydroxy-2-phenylacetamide chloride
IUPAC NAME: N-(4,6-dimethylpyridin-1-ium-2-yl)-2-hydroxy-2-phenylacetamide chloride
SYSTEMATIC NAME: N-(4,6-dimethylpyridin-1-ium-2-yl)-2-oxidanyl-2-phenyl-ethanamide chloride
MOLECULAR FORMULA: C15H17ClN2O2
MOLECULAR WEIGHT: 292.76068
SMILES: CC1=CC(=[NH+]C(=C1)NC(=O)C(C2=CC=CC=C2)O)C.[Cl-]
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Product OPENEYE NAME: N-(4,6-dimethyl-2-pyridyl)-2-hydroxy-2-phenyl-acetamide
CAS Name: N-(4,6-dimethyl-2-pyridinyl)-2-hydroxy-2-phenylacetamide
IUPAC NAME: N-(4,6-dimethylpyridin-2-yl)-2-hydroxy-2-phenylacetamide
SYSTEMATIC NAME: N-(4,6-dimethylpyridin-2-yl)-2-oxidanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CC1=CC(=NC(=C1)NC(=O)C(C2=CC=CC=C2)O)C
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Product OPENEYE NAME: 2-(1-naphthyl)-3-(2-thienyl)propanoic acid
CAS Name: 2-(1-naphthalenyl)-3-thiophen-2-ylpropanoic acid
IUPAC NAME: 2-naphthalen-1-yl-3-thiophen-2-ylpropanoic acid
SYSTEMATIC NAME: 2-naphthalen-1-yl-3-thiophen-2-yl-propanoic acid
MOLECULAR FORMULA: C17H14O2S
MOLECULAR WEIGHT: 282.35686
SMILES: C1=CC=C2C(=C1)C=CC=C2C(CC3=CC=CS3)C(=O)O
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Product OPENEYE NAME: tetracene-5,12-dione
CAS Name: tetracene-5,12-dione
IUPAC NAME: tetracene-5,12-dione
SYSTEMATIC NAME: tetracene-5,12-dione
MOLECULAR FORMULA: C18H10O2
MOLECULAR WEIGHT: 258.2708
SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 2-anilino-3-chloro-naphthalene-1,4-dione
CAS Name: 2-anilino-3-chloronaphthalene-1,4-dione
IUPAC NAME: 2-anilino-3-chloronaphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-phenylazanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C16H10ClNO2
MOLECULAR WEIGHT: 283.7091
SMILES: C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
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Product OPENEYE NAME: 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)isoxazole chloride
CAS Name: 3-phenyl-5-[3-(1-piperidin-1-iumyl)propyl]isoxazole chloride
IUPAC NAME: 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole chloride
SYSTEMATIC NAME: 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole chloride
MOLECULAR FORMULA: C17H23ClN2O
MOLECULAR WEIGHT: 306.83032
SMILES: C1CC[NH+](CC1)CCCC2=CC(=NO2)C3=CC=CC=C3.[Cl-]
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Product OPENEYE NAME: 3-phenyl-5-[3-(1-piperidyl)propyl]isoxazole
CAS Name: 3-phenyl-5-[3-(1-piperidinyl)propyl]isoxazole
IUPAC NAME: 3-phenyl-5-(3-piperidin-1-ylpropyl)-1,2-oxazole
SYSTEMATIC NAME: 3-phenyl-5-(3-piperidin-1-ylpropyl)-1,2-oxazole
MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: C1CCN(CC1)CCCC2=CC(=NO2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-morpholino-N-[(5-nitro-2-furyl)methyleneamino]acetamide
CAS Name: 2-(4-morpholinyl)-N-[(5-nitro-2-furanyl)methylideneamino]acetamide
IUPAC NAME: 2-morpholin-4-yl-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N-[(5-nitrofuran-2-yl)methylideneamino]ethanamide
MOLECULAR FORMULA: C11H14N4O5
MOLECULAR WEIGHT: 282.25266
SMILES: C1COCCN1CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(1-naphthyl)-3-(2-pyridyl)propanoic acid
CAS Name: 2-(1-naphthalenyl)-3-(2-pyridinyl)propanoic acid
IUPAC NAME: 2-naphthalen-1-yl-3-pyridin-2-ylpropanoic acid
SYSTEMATIC NAME: 2-naphthalen-1-yl-3-pyridin-2-yl-propanoic acid
MOLECULAR FORMULA: C18H15NO2
MOLECULAR WEIGHT: 277.3172
SMILES: C1=CC=C2C(=C1)C=CC=C2C(CC3=CC=CC=N3)C(=O)O
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Product OPENEYE NAME: 3-(acridin-9-ylammonio)propyl-dimethyl-ammonium dichloride
CAS Name: 3-(9-acridinylammonio)propyl-dimethylammonium dichloride
IUPAC NAME: 3-(acridin-9-ylazaniumyl)propyl-dimethylazanium dichloride
SYSTEMATIC NAME: 3-(acridin-9-ylazaniumyl)propyl-dimethyl-azanium dichloride
MOLECULAR FORMULA: C18H23Cl2N3
MOLECULAR WEIGHT: 352.30132
SMILES: C[NH+](C)CCC[NH2+]C1=C2C=CC=CC2=NC3=CC=CC=C31.[Cl-].[Cl-]
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Product OPENEYE NAME: N-acridin-9-yl-N',N'-dimethyl-propane-1,3-diamine
CAS Name: N-(9-acridinyl)-N',N'-dimethylpropane-1,3-diamine
IUPAC NAME: N-acridin-9-yl-N',N'-dimethylpropane-1,3-diamine
SYSTEMATIC NAME: N-acridin-9-yl-N',N'-dimethyl-propane-1,3-diamine
MOLECULAR FORMULA: C18H21N3
MOLECULAR WEIGHT: 279.37944
SMILES: CN(C)CCCNC1=C2C=CC=CC2=NC3=CC=CC=C31
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Product OPENEYE NAME: (2R)-17-hydroxy-2,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (2R)-17-hydroxy-2,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (2R)-17-hydroxy-2,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (2R)-2,13-dimethyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: C[C@@H]1CC2C3CCC4(C(C3CCC2=CC1=O)CCC4O)C
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Product OPENEYE NAME: 2-(1-naphthyl)-4-(1-piperidyl)butanenitrile
CAS Name: 2-(1-naphthalenyl)-4-(1-piperidinyl)butanenitrile
IUPAC NAME: 2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile
SYSTEMATIC NAME: 2-naphthalen-1-yl-4-piperidin-1-yl-butanenitrile
MOLECULAR FORMULA: C19H22N2
MOLECULAR WEIGHT: 278.39138
SMILES: C1CCN(CC1)CCC(C#N)C2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: [4-[5-(4-azaniumylphenoxy)pentoxy]phenyl]ammonium dichloride
CAS Name: [4-[5-(4-ammoniophenoxy)pentoxy]phenyl]ammonium dichloride
IUPAC NAME: [4-[5-(4-azaniumylphenoxy)pentoxy]phenyl]azanium dichloride
SYSTEMATIC NAME: [4-[5-(4-azaniumylphenoxy)pentoxy]phenyl]azanium dichloride
MOLECULAR FORMULA: C17H24Cl2N2O2
MOLECULAR WEIGHT: 359.29066
SMILES: C1=CC(=CC=C1[NH3+])OCCCCCOC2=CC=C(C=C2)[NH3+].[Cl-].[Cl-]
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Product OPENEYE NAME: 4-[5-(4-aminophenoxy)pentoxy]aniline
CAS Name: 4-[5-(4-aminophenoxy)pentoxy]aniline
IUPAC NAME: 4-[5-(4-aminophenoxy)pentoxy]aniline
SYSTEMATIC NAME: 4-[5-(4-azanylphenoxy)pentoxy]aniline
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: C1=CC(=CC=C1N)OCCCCCOC2=CC=C(C=C2)N
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Product OPENEYE NAME: 4-(4-azaspiro[4.5]decan-4-yl)-1-(4-fluorophenyl)butan-1-one
CAS Name: 4-(4-azaspiro[4.5]decan-4-yl)-1-(4-fluorophenyl)-1-butanone
IUPAC NAME: 4-(4-azaspiro[4.5]decan-4-yl)-1-(4-fluorophenyl)butan-1-one
SYSTEMATIC NAME: 4-(4-azaspiro[4.5]decan-4-yl)-1-(4-fluorophenyl)butan-1-one
MOLECULAR FORMULA: C19H26FNO
MOLECULAR WEIGHT: 303.414243
SMILES: C1CCC2(CC1)CCCN2CCCC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [4-(acetoxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium bromide
CAS Name: [4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylammonium bromide
IUPAC NAME: [4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide
SYSTEMATIC NAME: [4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C17H26BrNO4
MOLECULAR WEIGHT: 388.29664
SMILES: CC(=O)OCC1C(COC(O1)C2=CC=CC=C2)C[N+](C)(C)C.[Br-]
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Product OPENEYE NAME: [4-(acetoxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium
CAS Name: [4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylammonium
IUPAC NAME: [4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C17H26NO4+
MOLECULAR WEIGHT: 308.39264
SMILES: CC(=O)OCC1C(COC(O1)C2=CC=CC=C2)C[N+](C)(C)C
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Product OPENEYE NAME: 4-(9-azaspiro[4.5]decan-9-yl)-1-(4-fluorophenyl)butan-1-one
CAS Name: 4-(9-azaspiro[4.5]decan-9-yl)-1-(4-fluorophenyl)-1-butanone
IUPAC NAME: 4-(9-azaspiro[4.5]decan-9-yl)-1-(4-fluorophenyl)butan-1-one
SYSTEMATIC NAME: 4-(9-azaspiro[4.5]decan-9-yl)-1-(4-fluorophenyl)butan-1-one
MOLECULAR FORMULA: C19H26FNO
MOLECULAR WEIGHT: 303.414243
SMILES: C1CCC2(C1)CCCN(C2)CCCC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
CAS Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
IUPAC NAME: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
MOLECULAR FORMULA: C20H29NO
MOLECULAR WEIGHT: 299.45036
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(=CC4)C#N)C
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