Product OPENEYE NAME: (17S)-17-hydroxy-13,17-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (17S)-17-hydroxy-13,17-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (17S)-17-hydroxy-13,17-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17S)-13,17-dimethyl-17-oxidanyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: C[C@@]1(CCC2C1(CCC3C2CCC4=C3CCC(=O)C4)C)O
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Product OPENEYE NAME: N-[(4-bromophenyl)methyl]-2-chloro-N-(2-chloroethyl)ethanamine
CAS Name: N-[(4-bromophenyl)methyl]-2-chloro-N-(2-chloroethyl)ethanamine
IUPAC NAME: N-[(4-bromophenyl)methyl]-2-chloro-N-(2-chloroethyl)ethanamine
SYSTEMATIC NAME: N-[(4-bromophenyl)methyl]-2-chloranyl-N-(2-chloroethyl)ethanamine
MOLECULAR FORMULA: C11H14BrCl2N
MOLECULAR WEIGHT: 311.04556
SMILES: C1=CC(=CC=C1CN(CCCl)CCCl)Br
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Product OPENEYE NAME: (4-bromophenyl)methyl-bis(2-chloroethyl)ammonium chloride
CAS Name: (4-bromophenyl)methyl-bis(2-chloroethyl)ammonium chloride
IUPAC NAME: (4-bromophenyl)methyl-bis(2-chloroethyl)azanium chloride
SYSTEMATIC NAME: (4-bromophenyl)methyl-bis(2-chloroethyl)azanium chloride
MOLECULAR FORMULA: C11H15BrCl3N
MOLECULAR WEIGHT: 347.5065
SMILES: C1=CC(=CC=C1C[NH+](CCCl)CCCl)Br.[Cl-]
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Product OPENEYE NAME: 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
CAS Name: 2-[2-(dimethylamino)ethylamino]-1-cyclohepta-2,4,6-trienone
IUPAC NAME: 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CN(C)CCNC1=CC=CC=CC1=O
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Product OPENEYE NAME: 2-ethyl-4-morpholino-2-(1-naphthyl)butanenitrile
CAS Name: 2-ethyl-4-(4-morpholinyl)-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 2-ethyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 2-ethyl-4-morpholin-4-yl-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: CCC(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: N,N-dimethyl-4-phenylazo-benzeneamine oxide
CAS Name: N,N-dimethyl-4-phenyldiazenylbenzeneamine oxide
IUPAC NAME: N,N-dimethyl-4-phenyldiazenylbenzeneamine oxide
SYSTEMATIC NAME: N,N-dimethyl-4-phenyldiazenyl-benzeneamine oxide
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: C[N+](C)(C1=CC=C(C=C1)N=NC2=CC=CC=C2)[O-]
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Product OPENEYE NAME: N2,N4,N6-tris(4-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
CAS Name: N2,N4,N6-tris(4-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
IUPAC NAME: 2-N,4-N,6-N-tris(4-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N2,N4,N6-tris(4-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C21H15Cl3N6
MOLECULAR WEIGHT: 457.743
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 3-[[3,6-dioxo-4-[3-(triethylammonio)propylamino]cyclohexa-1,4-dien-1-yl]amino]propyl-triethyl-ammonium dibromide
CAS Name: 3-[[3,6-dioxo-4-[3-(triethylammonio)propylamino]-1-cyclohexa-1,4-dienyl]amino]propyl-triethylammonium dibromide
IUPAC NAME: 3-[[3,6-dioxo-4-[3-(triethylazaniumyl)propylamino]cyclohexa-1,4-dien-1-yl]amino]propyl-triethylazanium dibromide
SYSTEMATIC NAME: 3-[[3,6-bis(oxidanylidene)-4-[3-(triethylazaniumyl)propylamino]cyclohexa-1,4-dien-1-yl]amino]propyl-triethyl-azanium dibromide
MOLECULAR FORMULA: C24H46Br2N4O2
MOLECULAR WEIGHT: 582.45564
SMILES: CC[N+](CC)(CC)CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC.[Br-].[Br-]
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Product OPENEYE NAME: 3-[[3,6-dioxo-4-[3-(triethylammonio)propylamino]cyclohexa-1,4-dien-1-yl]amino]propyl-triethyl-ammonium
CAS Name: 3-[[3,6-dioxo-4-[3-(triethylammonio)propylamino]-1-cyclohexa-1,4-dienyl]amino]propyl-triethylammonium
IUPAC NAME: 3-[[3,6-dioxo-4-[3-(triethylazaniumyl)propylamino]cyclohexa-1,4-dien-1-yl]amino]propyl-triethylazanium
SYSTEMATIC NAME: 3-[[3,6-bis(oxidanylidene)-4-[3-(triethylazaniumyl)propylamino]cyclohexa-1,4-dien-1-yl]amino]propyl-triethyl-azanium
MOLECULAR FORMULA: C24H46N4O2+2
MOLECULAR WEIGHT: 422.64764
SMILES: CC[N+](CC)(CC)CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC
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Product OPENEYE NAME: 4-methyl-1-tetradecyl-pyridin-1-ium chloride
CAS Name: 4-methyl-1-tetradecylpyridin-1-ium chloride
IUPAC NAME: 4-methyl-1-tetradecylpyridin-1-ium chloride
SYSTEMATIC NAME: 4-methyl-1-tetradecyl-pyridin-1-ium chloride
MOLECULAR FORMULA: C20H36ClN
MOLECULAR WEIGHT: 325.95954
SMILES: CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.[Cl-]
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Product OPENEYE NAME: 4-methyl-1-tetradecyl-pyridin-1-ium
CAS Name: 4-methyl-1-tetradecylpyridin-1-ium
IUPAC NAME: 4-methyl-1-tetradecylpyridin-1-ium
SYSTEMATIC NAME: 4-methyl-1-tetradecyl-pyridin-1-ium
MOLECULAR FORMULA: C20H36N+
MOLECULAR WEIGHT: 290.50654
SMILES: CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C
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Product OPENEYE NAME: 2,5-dimethyl-4H-pyrazol-3-one
CAS Name: 2,5-dimethyl-4H-pyrazol-3-one
IUPAC NAME: 2,5-dimethyl-4H-pyrazol-3-one
SYSTEMATIC NAME: 2,5-dimethyl-4H-pyrazol-3-one
MOLECULAR FORMULA: C5H8N2O
MOLECULAR WEIGHT: 112.12982
SMILES: CC1=NN(C(=O)C1)C
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Product OPENEYE NAME: [(3R,5S,6S,7R,8S,9R,12R,13S,14R,15R)-6-[(2S,3R,4S,6R)-3-acetoxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetoxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan
CAS Name: acetic acid [(3R,5S,6S,7R,8S,9R,12R,13S,14R,15R)-6-[[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-8-[[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-14-
IUPAC NAME: [(3R,5S,6S,7R,8S,9R,12R,13S,14R,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
SYSTEMATIC NAME: [(3R,5S,6S,7R,8S,9R,12R,13S,14R,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-bis(oxidanylidene)-2,11-dioxaspiro[2.13]hexadecan-14-y
MOLECULAR FORMULA: C41H67NO15
MOLECULAR WEIGHT: 813.96838
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C
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Product OPENEYE NAME: 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
CAS Name: 1-[10-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-2-phenothiazinyl]ethanone
IUPAC NAME: 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
SYSTEMATIC NAME: 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
MOLECULAR FORMULA: C23H29N3O2S
MOLECULAR WEIGHT: 411.56026
SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO
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