Product OPENEYE NAME: ethyl (2R)-2-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CAS Name: (2R)-2-[4-(2-amino-2-oxoethyl)-1-piperazinyl]-2-(4-chlorophenyl)acetic acid ethyl ester
IUPAC NAME: ethyl (2R)-2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
SYSTEMATIC NAME: ethyl (2R)-2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate
MOLECULAR FORMULA: C16H22ClN3O3
MOLECULAR WEIGHT: 339.81718
SMILES: CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)N2CCN(CC2)CC(=O)N
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Product OPENEYE NAME: 3-fluoro-4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]benzonitrile
CAS Name: 3-fluoro-4-[[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidin-1-iumyl]methyl]benzonitrile
IUPAC NAME: 3-fluoro-4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 3-fluoranyl-4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C21H24FN2O+
MOLECULAR WEIGHT: 339.426463
SMILES: C1C[NH+](CCC1CCC2=CC=C(C=C2)O)CC3=C(C=C(C=C3)C#N)F
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Product OPENEYE NAME: 3-fluoro-4-[[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]methyl]benzonitrile
CAS Name: 3-fluoro-4-[[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidinyl]methyl]benzonitrile
IUPAC NAME: 3-fluoro-4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 3-fluoranyl-4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C21H23FN2O
MOLECULAR WEIGHT: 338.418523
SMILES: C1CN(CCC1CCC2=CC=C(C=C2)O)CC3=C(C=C(C=C3)C#N)F
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Product OPENEYE NAME: N-(2-allylsulfanylphenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]acetamide
CAS Name: 2-[4-[(S)-hydroxy(phenyl)methyl]-1-piperidin-1-iumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide
IUPAC NAME: 2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(S)-oxidanyl(phenyl)methyl]piperidin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C23H29N2O2S+
MOLECULAR WEIGHT: 397.55356
SMILES: C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)[C@@H](C3=CC=CC=C3)O
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Product OPENEYE NAME: N-(2-allylsulfanylphenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]-1-piperidyl]acetamide
CAS Name: 2-[4-[(S)-hydroxy(phenyl)methyl]-1-piperidinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide
IUPAC NAME: 2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(S)-oxidanyl(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C23H28N2O2S
MOLECULAR WEIGHT: 396.54562
SMILES: C=CCSC1=CC=CC=C1NC(=O)CN2CCC(CC2)[C@@H](C3=CC=CC=C3)O
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Product OPENEYE NAME: N-(2-allylsulfanylphenyl)-2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]acetamide
CAS Name: 2-[4-[(R)-hydroxy(phenyl)methyl]-1-piperidin-1-iumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide
IUPAC NAME: 2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(R)-oxidanyl(phenyl)methyl]piperidin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C23H29N2O2S+
MOLECULAR WEIGHT: 397.55356
SMILES: C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)[C@H](C3=CC=CC=C3)O
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Product OPENEYE NAME: N-(2-allylsulfanylphenyl)-2-[4-[(R)-hydroxy(phenyl)methyl]-1-piperidyl]acetamide
CAS Name: 2-[4-[(R)-hydroxy(phenyl)methyl]-1-piperidinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide
IUPAC NAME: 2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(R)-oxidanyl(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C23H28N2O2S
MOLECULAR WEIGHT: 396.54562
SMILES: C=CCSC1=CC=CC=C1NC(=O)CN2CCC(CC2)[C@H](C3=CC=CC=C3)O
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Product OPENEYE NAME: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(2,5-dioxo-1-imidazolidinyl)methyl]benzamide
IUPAC NAME: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SYSTEMATIC NAME: 3-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)benzamide
MOLECULAR FORMULA: C19H21N5O3S
MOLECULAR WEIGHT: 399.46674
SMILES: C1CCC(CC1)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)CN4C(=O)CNC4=O
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Product OPENEYE NAME: 4-fluoro-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imino-benzamide
CAS Name: 4-fluoro-N-[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]iminobenzamide
IUPAC NAME: 4-fluoro-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]iminobenzamide
SYSTEMATIC NAME: 4-fluoranyl-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylimino]benzamide
MOLECULAR FORMULA: C12H9FN4O2S3
MOLECULAR WEIGHT: 356.418863
SMILES: CSC1=NN=C(S1)SCC(=O)N=NC(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: 3-[[2-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]amino]-4-pyrrolidin-1-yl-benzamide
CAS Name: 3-[[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzamide
IUPAC NAME: 3-[[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-4-pyrrolidin-1-ylbenzamide
SYSTEMATIC NAME: 3-[2-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoylamino]-4-pyrrolidin-1-yl-benzamide
MOLECULAR FORMULA: C23H35N3O3
MOLECULAR WEIGHT: 401.5423
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)C(C)C
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Product OPENEYE NAME: 3-[[2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]amino]-4-pyrrolidin-1-yl-benzamide
CAS Name: 3-[[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzamide
IUPAC NAME: 3-[[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-4-pyrrolidin-1-ylbenzamide
SYSTEMATIC NAME: 3-[2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoylamino]-4-pyrrolidin-1-yl-benzamide
MOLECULAR FORMULA: C23H35N3O3
MOLECULAR WEIGHT: 401.5423
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)C(C)C
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Product OPENEYE NAME: 3-[[2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]amino]-4-pyrrolidin-1-yl-benzamide
CAS Name: 3-[[2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzamide
IUPAC NAME: 3-[[2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-4-pyrrolidin-1-ylbenzamide
SYSTEMATIC NAME: 3-[2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoylamino]-4-pyrrolidin-1-yl-benzamide
MOLECULAR FORMULA: C23H35N3O3
MOLECULAR WEIGHT: 401.5423
SMILES: C[C@H]1CC[C@H]([C@H](C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)C(C)C
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Product OPENEYE NAME: 3-[[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]amino]-4-pyrrolidin-1-yl-benzamide
CAS Name: 3-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzamide
IUPAC NAME: 3-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-4-pyrrolidin-1-ylbenzamide
SYSTEMATIC NAME: 3-[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoylamino]-4-pyrrolidin-1-yl-benzamide
MOLECULAR FORMULA: C23H35N3O3
MOLECULAR WEIGHT: 401.5423
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)C(C)C
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Product OPENEYE NAME: N-[(1R)-2-amino-1-methyl-2-oxo-ethyl]-9-oxo-fluorene-2-carboxamide
CAS Name: N-[(2R)-1-amino-1-oxopropan-2-yl]-9-oxo-2-fluorenecarboxamide
IUPAC NAME: N-[(2R)-1-amino-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide
SYSTEMATIC NAME: N-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-9-oxidanylidene-fluorene-2-carboxamide
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: C[C@H](C(=O)N)NC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-9-oxo-fluorene-2-carboxamide
CAS Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-9-oxo-2-fluorenecarboxamide
IUPAC NAME: N-[(2S)-1-amino-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-9-oxidanylidene-fluorene-2-carboxamide
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: C[C@@H](C(=O)N)NC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 4-bromo-N'-(2,6-difluorobenzoyl)-1-methyl-pyrrole-2-carbohydrazide
CAS Name: 4-bromo-N'-[(2,6-difluorophenyl)-oxomethyl]-1-methyl-2-pyrrolecarbohydrazide
IUPAC NAME: 4-bromo-N'-(2,6-difluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
SYSTEMATIC NAME: N'-[2,6-bis(fluoranyl)phenyl]carbonyl-4-bromanyl-1-methyl-pyrrole-2-carbohydrazide
MOLECULAR FORMULA: C13H10BrF2N3O2
MOLECULAR WEIGHT: 358.138206
SMILES: CN1C=C(C=C1C(=O)NNC(=O)C2=C(C=CC=C2F)F)Br
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Product OPENEYE NAME: 1-(2,2-dimethylpropanoyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-N-(2-phenyl-5-pyrimidinyl)-4-piperidinecarboxamide
IUPAC NAME: 1-(2,2-dimethylpropanoyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(2,2-dimethylpropanoyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
MOLECULAR FORMULA: C21H26N4O2
MOLECULAR WEIGHT: 366.45674
SMILES: CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2=CN=C(N=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (3R)-2-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
CAS Name: (3R)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
IUPAC NAME: (3R)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
SYSTEMATIC NAME: (3R)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
MOLECULAR FORMULA: C17H23N4O2+
MOLECULAR WEIGHT: 315.39012
SMILES: CC(C)CC1=NOC(=N1)C[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)N
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Product OPENEYE NAME: (3R)-2-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CAS Name: (3R)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
IUPAC NAME: (3R)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SYSTEMATIC NAME: (3R)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
MOLECULAR FORMULA: C17H22N4O2
MOLECULAR WEIGHT: 314.38218
SMILES: CC(C)CC1=NOC(=N1)CN2CC3=CC=CC=C3C[C@@H]2C(=O)N
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Product OPENEYE NAME: (E)-3-(4-acetamidophenyl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide
CAS Name: (E)-3-(4-acetamidophenyl)-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenamide
IUPAC NAME: (E)-3-(4-acetamidophenyl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-acetamidophenyl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C23H29N4O2+
MOLECULAR WEIGHT: 393.50196
SMILES: CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)NC(=O)C)N3CC[NH+](CC3)C
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Product OPENEYE NAME: (E)-3-(4-acetamidophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CAS Name: (E)-3-(4-acetamidophenyl)-N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-2-propenamide
IUPAC NAME: (E)-3-(4-acetamidophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-acetamidophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C23H28N4O2
MOLECULAR WEIGHT: 392.49402
SMILES: CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)NC(=O)C)N3CCN(CC3)C
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Product OPENEYE NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]ethyl]ammonium
CAS Name: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]ethyl]ammonium
IUPAC NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]ethyl]azanium
SYSTEMATIC NAME: diethyl-[(1R)-1-(3-methoxyphenyl)-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]ethyl]azanium
MOLECULAR FORMULA: C22H28N3O4+
MOLECULAR WEIGHT: 398.47542
SMILES: CC[NH+](CC)[C@@H](CNC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)OC
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Product OPENEYE NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CAS Name: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)-2-propenamide
IUPAC NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C22H27N3O4
MOLECULAR WEIGHT: 397.46748
SMILES: CCN(CC)[C@@H](CNC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)OC
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Product OPENEYE NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]ethyl]ammonium
CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]ethyl]ammonium
IUPAC NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]ethyl]azanium
SYSTEMATIC NAME: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]ethyl]azanium
MOLECULAR FORMULA: C22H28N3O4+
MOLECULAR WEIGHT: 398.47542
SMILES: CC[NH+](CC)[C@H](CNC(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)OC
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