Product OPENEYE NAME: (E)-3-(2-benzyl-1-oxo-isoindolin-5-yl)prop-2-enehydroxamic acid
CAS Name: (E)-N-hydroxy-3-[1-oxo-2-(phenylmethyl)-3H-isoindol-5-yl]-2-propenamide
IUPAC NAME: (E)-3-(2-benzyl-1-oxo-3H-isoindol-5-yl)-N-hydroxyprop-2-enamide
SYSTEMATIC NAME: (E)-N-oxidanyl-3-[1-oxidanylidene-2-(phenylmethyl)-3H-isoindol-5-yl]prop-2-enamide
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: C1C2=C(C=CC(=C2)/C=C/C(=O)NO)C(=O)N1CC3=CC=CC=C3
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MOLECULAR FORMULA: C18H22N4O2
MOLECULAR WEIGHT: 326.39288
SMILES: CC(C)[C@H]1C(=O)N[C@@H](CC2=CN3C4=C(C=CC(=C24)N1C)C=N3)CO
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Product OPENEYE NAME: 2-[4-(diethylamino)phenyl]guanidine
CAS Name: 2-[4-(diethylamino)phenyl]guanidine
IUPAC NAME: 2-[4-(diethylamino)phenyl]guanidine
SYSTEMATIC NAME: 2-[4-(diethylamino)phenyl]guanidine
MOLECULAR FORMULA: C11H18N4
MOLECULAR WEIGHT: 206.28742
SMILES: CCN(CC)C1=CC=C(C=C1)N=C(N)N
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Product OPENEYE NAME: 3-bromo-N2-(3-imidazol-1-ylpropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[3-(1-imidazolyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-(3-imidazol-1-ylpropyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-(3-imidazol-1-ylpropyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C19H18BrN7
MOLECULAR WEIGHT: 424.29712
SMILES: C1=CC(=C(C(=C1)Br)NCCCN2C=CN=C2)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: N2-(7-bromopyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
CAS Name: N2-(7-bromo-4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 2-N-(7-bromopyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
SYSTEMATIC NAME: N2-(7-bromanylpyrido[4,3-d]pyrimidin-4-yl)benzene-1,2-diamine
MOLECULAR FORMULA: C13H10BrN5
MOLECULAR WEIGHT: 316.156
SMILES: C1=CC=C(C(=C1)N)NC2=NC=NC3=CC(=NC=C32)Br
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Product OPENEYE NAME: 3-bromo-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H10BrN5
MOLECULAR WEIGHT: 316.156
SMILES: C1=CC(=C(C(=C1)Br)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-hydroxybutylsulfamoyl)benzamide
CAS Name: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-hydroxybutylsulfamoyl)benzamide
IUPAC NAME: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-hydroxybutylsulfamoyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-(4-oxidanylbutylsulfamoyl)benzamide
MOLECULAR FORMULA: C19H20ClN3O4S2
MOLECULAR WEIGHT: 453.9628
SMILES: C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)NCCCCO)Cl
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Product OPENEYE NAME: methyl (2R)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenyl-propanoate
CAS Name: (2R)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2R)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C17H25N3O7S2
MOLECULAR WEIGHT: 447.5263
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC
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Product OPENEYE NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]pentanoate
CAS Name: (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]pentanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]pentanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]pentanoate
MOLECULAR FORMULA: C13H25N3O7S2
MOLECULAR WEIGHT: 399.4835
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](CCC)C(=O)OC
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Product OPENEYE NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenyl-propanoate
CAS Name: (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C17H25N3O7S2
MOLECULAR WEIGHT: 447.5263
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC
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MOLECULAR FORMULA: C42H52N8O4
MOLECULAR WEIGHT: 732.91348
SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCNCCCCNCCCN)C(=O)N(C2=O)CCNCCCCNCCCN
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Product OPENEYE NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyrimidin-4-yl-methanone
CAS Name: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(4-pyrimidinyl)methanone
IUPAC NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyrimidin-4-ylmethanone
SYSTEMATIC NAME: [3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyrimidin-4-yl-methanone
MOLECULAR FORMULA: C27H30N4O2
MOLECULAR WEIGHT: 442.5527
SMILES: C1CN(CCC12CCN(CC2)C(=O)C3=NC=NC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(3-phenylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis(3-phenylpropyl)amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(3-phenylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(3-phenylpropyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C60H92N4O3
MOLECULAR WEIGHT: 917.39748
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CCCC7=CC=CC=C7)CCCC8=CC=CC=C8
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Product OPENEYE NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-(4-nitrophenyl)pyrazole-3-carboxylate
CAS Name: 4-[[3-[anilino(oxo)methyl]-5-methyl-1-phenyl-4-pyrazolyl]-oxomethyl]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-(4-nitrophenyl)pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbonyl-1-(4-nitrophenyl)pyrazole-3-carboxylate
MOLECULAR FORMULA: C30H24N6O6
MOLECULAR WEIGHT: 564.54816
SMILES: CCOC(=O)C1=NN(C=C1C(=O)C2=C(N(N=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C)C5=CC=C(C=C5)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-3-(4-methylsulfonylphenyl)propanoic acid
CAS Name: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-3-(4-methylsulfonylphenyl)propanoic acid
IUPAC NAME: 2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-methylsulfonylphenyl)propanoic acid
SYSTEMATIC NAME: 2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-methylsulfonylphenyl)propanoic acid
MOLECULAR FORMULA: C28H37ClN2O6S
MOLECULAR WEIGHT: 565.12118
SMILES: CS(=O)(=O)C1=CC=C(C=C1)CC(C(=O)O)N2CCC(CC2)CN3CCC(CC3)OC4=CC(=C(C=C4)CO)Cl
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Product OPENEYE NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenyl-pyrazole-3-carboxylate
CAS Name: 4-[[3-[anilino(oxo)methyl]-5-methyl-1-phenyl-4-pyrazolyl]-oxomethyl]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[5-methyl-1-phenyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbonyl-1-phenyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C30H25N5O4
MOLECULAR WEIGHT: 519.5506
SMILES: CCOC(=O)C1=NN(C=C1C(=O)C2=C(N(N=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C)C5=CC=CC=C5
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Product OPENEYE NAME: [(Z)-5-hydroxy-3-methyl-pent-3-enyl] dihydrogen phosphate
CAS Name: [(Z)-5-hydroxy-3-methylpent-3-enyl] dihydrogen phosphate
IUPAC NAME: [(Z)-5-hydroxy-3-methylpent-3-enyl] dihydrogen phosphate
SYSTEMATIC NAME: [(Z)-3-methyl-5-oxidanyl-pent-3-enyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13O5P
MOLECULAR WEIGHT: 196.138181
SMILES: C/C(=C/CO)/CCOP(=O)(O)O
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Product OPENEYE NAME: [(Z)-5-hydroxy-4-methyl-pent-3-enyl] dihydrogen phosphate
CAS Name: [(Z)-5-hydroxy-4-methylpent-3-enyl] dihydrogen phosphate
IUPAC NAME: [(Z)-5-hydroxy-4-methylpent-3-enyl] dihydrogen phosphate
SYSTEMATIC NAME: [(Z)-4-methyl-5-oxidanyl-pent-3-enyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H13O5P
MOLECULAR WEIGHT: 196.138181
SMILES: C/C(=C/CCOP(=O)(O)O)/CO
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Product OPENEYE NAME: 7-[2-phenylethyl(3-phenylpropyl)amino]heptanehydroxamic acid
CAS Name: N-hydroxy-7-[2-phenylethyl(3-phenylpropyl)amino]heptanamide
IUPAC NAME: N-hydroxy-7-[2-phenylethyl(3-phenylpropyl)amino]heptanamide
SYSTEMATIC NAME: N-oxidanyl-7-[2-phenylethyl(3-phenylpropyl)amino]heptanamide
MOLECULAR FORMULA: C24H34N2O2
MOLECULAR WEIGHT: 382.53896
SMILES: C1=CC=C(C=C1)CCCN(CCCCCCC(=O)NO)CCC2=CC=CC=C2
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Product OPENEYE NAME: 3-benzyl-1-butyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 1-butyl-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 3-benzyl-1-butyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 1-butyl-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CCCCN1C2=CC=CC=C2C(=O)NC(C1=O)CC3=CC=CC=C3
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Product OPENEYE NAME: 3-benzyl-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 3-(phenylmethyl)-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 3-benzyl-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 3-(phenylmethyl)-1-[(2-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C29H24N2O2
MOLECULAR WEIGHT: 432.51306
SMILES: C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=O)N2)CC4=CC=CC=C4C5=CC=CC=C5
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Product OPENEYE NAME: 3-benzyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 3-(phenylmethyl)-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 3-benzyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 3-(phenylmethyl)-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CCCN1C2=CC=CC=C2C(=O)NC(C1=O)CC3=CC=CC=C3
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