Product OPENEYE NAME: 5-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CAS Name: 5-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
IUPAC NAME: 5-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SYSTEMATIC NAME: 5-[(4-fluorophenyl)methyl]-N-methyl-4-oxidanyl-3-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
MOLECULAR FORMULA: C15H15FN4O3
MOLECULAR WEIGHT: 318.303003
SMILES: CNC(=O)C1=NN2CCN(C(=C2C1=O)O)CC3=CC=C(C=C3)F
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carbonyl]amino]-3-methyl-pentanoyl]amino]pentanediamide
CAS Name: (2S)-2-[[(2S,3S)-2-[[[(4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]pentanediamide
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-methylpentanoyl]amino]pentanediamide
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]carbonylamino]-3-methyl-pentanoyl]amino]pentanediamide
MOLECULAR FORMULA: C41H66N8O9S
MOLECULAR WEIGHT: 847.07594
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CSC([C@@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N)(C)C)O)NC(=O)C
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S)-2-acetamido-3,3-dimethyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2-methyl-butyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S)-2-acetamido-3,3-dimethyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2S,3S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-4-thiazoli
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S)-2-acetamido-3,3-dimethylbutanoyl]amino]-3-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S,3S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S)-2-acetamido-3,3-dimethyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2S,3S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-5,5
MOLECULAR FORMULA: C41H67N7O8S2
MOLECULAR WEIGHT: 850.14278
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H]1C(SCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O)(C)C
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Product OPENEYE NAME: 4-[[(4-chlorophenyl)sulfonyl-(4,4-dimethyl-2-oxo-azepan-3-yl)amino]methyl]-N-cyclopropyl-benzamide
CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(4,4-dimethyl-2-oxo-3-azepanyl)amino]methyl]-N-cyclopropylbenzamide
IUPAC NAME: 4-[[(4-chlorophenyl)sulfonyl-(4,4-dimethyl-2-oxoazepan-3-yl)amino]methyl]-N-cyclopropylbenzamide
SYSTEMATIC NAME: 4-[[(4-chlorophenyl)sulfonyl-(4,4-dimethyl-2-oxidanylidene-azepan-3-yl)amino]methyl]-N-cyclopropyl-benzamide
MOLECULAR FORMULA: C25H30ClN3O4S
MOLECULAR WEIGHT: 504.0414
SMILES: CC1(CCCNC(=O)C1N(CC2=CC=C(C=C2)C(=O)NC3CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: isopropyl (3S,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methyl-4-quinolyl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
CAS Name: (3S,4S)-3-[(hydroxyamino)-oxomethyl]-4-[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]amino]-1-pyrrolidinecarboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (3S,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: propan-2-yl (3S,4S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]-4-(oxidanylcarbamoyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C27H30N4O6
MOLECULAR WEIGHT: 506.5503
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)C(=O)OC(C)C
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Product OPENEYE NAME: methyl (3S,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methyl-4-quinolyl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
CAS Name: (3S,4S)-3-[(hydroxyamino)-oxomethyl]-4-[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]amino]-1-pyrrolidinecarboxylic acid methyl ester
IUPAC NAME: methyl (3S,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: methyl (3S,4S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]-4-(oxidanylcarbamoyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C25H26N4O6
MOLECULAR WEIGHT: 478.49714
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)C(=O)OC
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Product OPENEYE NAME: 4-[[amino-[[2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]acetyl]amino]methylene]amino]butanamide
CAS Name: 4-[[amino-[[2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1-pyrrolyl]-1-oxoethyl]amino]methylidene]amino]butanamide
IUPAC NAME: 4-[[amino-[[2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]acetyl]amino]methylidene]amino]butanamide
SYSTEMATIC NAME: 4-[[azanyl-[2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]ethanoylamino]methylidene]amino]butanamide
MOLECULAR FORMULA: C26H30ClN5O3
MOLECULAR WEIGHT: 496.0011
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCCCC(=O)N)N)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(2,3-dihydroxypropyl)carbamimidoyl]acetamide
CAS Name: N-[amino(2,3-dihydroxypropylimino)methyl]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1-pyrrolyl]acetamide
IUPAC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(2,3-dihydroxypropyl)carbamimidoyl]acetamide
SYSTEMATIC NAME: N-[N'-[2,3-bis(oxidanyl)propyl]carbamimidoyl]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]ethanamide
MOLECULAR FORMULA: C25H29ClN4O4
MOLECULAR WEIGHT: 484.97516
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCC(CO)O)N)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]ethanol
CAS Name: 2-[4-(5-isoquinolinylsulfonyl)-1-piperazinyl]ethanol
IUPAC NAME: 2-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)ethanol
SYSTEMATIC NAME: 2-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)ethanol
MOLECULAR FORMULA: C15H19N3O3S
MOLECULAR WEIGHT: 321.39466
SMILES: C1CN(CCN1CCO)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
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Product OPENEYE NAME: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-4-methyl-phenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-4-methylphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-4-methylphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(4-methyl-2-oxidanyl-phenyl)-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C25H24FNO4
MOLECULAR WEIGHT: 421.460763
SMILES: CC1=CC(=C(C=C1)[C@@H]2[C@H](OC(=O)N2C3=CC(=CC=C3)F)[C@@H](CCC4=CC=CC=C4)O)O
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Product OPENEYE NAME: (4R,5S)-4-(5-fluoro-2-hydroxy-phenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-4-(5-fluoro-2-hydroxyphenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-4-(5-fluoro-2-hydroxyphenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-4-(5-fluoranyl-2-oxidanyl-phenyl)-3-(3-fluorophenyl)-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C24H21F2NO4
MOLECULAR WEIGHT: 425.424646
SMILES: C1=CC=C(C=C1)CC[C@H]([C@@H]2[C@H](N(C(=O)O2)C3=CC(=CC=C3)F)C4=C(C=CC(=C4)F)O)O
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Product OPENEYE NAME: (4R,5S)-4-(3-fluoro-2-hydroxy-phenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-4-(3-fluoro-2-hydroxyphenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-4-(3-fluoro-2-hydroxyphenyl)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-4-(3-fluoranyl-2-oxidanyl-phenyl)-3-(3-fluorophenyl)-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C24H21F2NO4
MOLECULAR WEIGHT: 425.424646
SMILES: C1=CC=C(C=C1)CC[C@H]([C@@H]2[C@H](N(C(=O)O2)C3=CC(=CC=C3)F)C4=C(C(=CC=C4)F)O)O
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Product OPENEYE NAME: 3-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]benzonitrile
CAS Name: 3-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]benzonitrile
IUPAC NAME: 3-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]benzonitrile
SYSTEMATIC NAME: 3-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]benzenecarbonitrile
MOLECULAR FORMULA: C23H20N4O3
MOLECULAR WEIGHT: 400.4299
SMILES: CC1=C2C(=CC(=C1)/C(=C/CCC3=NN=C(O3)C)/C4=CC=CC(=C4)C#N)C(=NO2)OC
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Product OPENEYE NAME: 1-[3-[[(1S,5R)-3-[(7-isopropoxy-2-quinolyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[(1S,5R)-3-[(7-propan-2-yloxy-2-quinolinyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[(1S,5R)-3-[(7-propan-2-yloxyquinolin-2-yl)amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[(1S,5R)-3-[(7-propan-2-yloxyquinolin-2-yl)amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C30H40N4O2
MOLECULAR WEIGHT: 488.6642
SMILES: CC(C)OC1=CC2=C(C=C1)C=CC(=N2)NC3C[C@H]4CC[C@@H](C3)N4CC5=CC6CCCC(C5)N6C(=O)C
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Product OPENEYE NAME: 1-[3-[[(1S,5R)-3-[[7-(trifluoromethyl)-2-quinolyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[(1S,5R)-3-[[7-(trifluoromethyl)-2-quinolinyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[(1S,5R)-3-[[7-(trifluoromethyl)quinolin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[(1S,5R)-3-[[7-(trifluoromethyl)quinolin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C28H33F3N4O
MOLECULAR WEIGHT: 498.58303
SMILES: CC(=O)N1C2CCCC1C=C(C2)CN3[C@@H]4CC[C@H]3CC(C4)NC5=NC6=C(C=CC(=C6)C(F)(F)F)C=C5
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Product OPENEYE NAME: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[(1R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]urea
CAS Name: 1-[3-ethyl-5-(1-methyl-5-tetrazolyl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]urea
IUPAC NAME: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
SYSTEMATIC NAME: 1-[3-ethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
MOLECULAR FORMULA: C27H36FN7O
MOLECULAR WEIGHT: 493.619443
SMILES: CCC1=CC(=CC(=C1)C2=NN=NN2C)NC(=O)N[C@H](C)CCN3CCC[C@H](C3)CC4=CC=C(C=C4)F
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Product OPENEYE NAME: 1-[(1R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]-3-[3-methyl-5-(1-methyltetrazol-5-yl)phenyl]urea
CAS Name: 1-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]-3-[3-methyl-5-(1-methyl-5-tetrazolyl)phenyl]urea
IUPAC NAME: 1-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3-[3-methyl-5-(1-methyltetrazol-5-yl)phenyl]urea
SYSTEMATIC NAME: 1-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3-[3-methyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]urea
MOLECULAR FORMULA: C26H34FN7O
MOLECULAR WEIGHT: 479.592863
SMILES: CC1=CC(=CC(=C1)C2=NN=NN2C)NC(=O)N[C@H](C)CCN3CCC[C@H](C3)CC4=CC=C(C=C4)F
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