Product OPENEYE NAME: 1-[4-(2-propylphenoxy)phenyl]pyrrole-2,5-dione
CAS Name: 1-[4-(2-propylphenoxy)phenyl]pyrrole-2,5-dione
IUPAC NAME: 1-[4-(2-propylphenoxy)phenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[4-(2-propylphenoxy)phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C19H17NO3
MOLECULAR WEIGHT: 307.34318
SMILES: CCCC1=CC=CC=C1OC2=CC=C(C=C2)N3C(=O)C=CC3=O
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Product OPENEYE NAME: phenyl-(3,3,5,5-tetraaminocyclohexyl)methanone
CAS Name: phenyl-(3,3,5,5-tetraaminocyclohexyl)methanone
IUPAC NAME: phenyl-(3,3,5,5-tetraaminocyclohexyl)methanone
SYSTEMATIC NAME: phenyl-[3,3,5,5-tetrakis(azanyl)cyclohexyl]methanone
MOLECULAR FORMULA: C13H20N4O
MOLECULAR WEIGHT: 248.3241
SMILES: C1C(CC(CC1(N)N)(N)N)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 3-[2-(3-aminophenyl)thiazol-5-yl]aniline
CAS Name: 3-[2-(3-aminophenyl)-5-thiazolyl]aniline
IUPAC NAME: 3-[2-(3-aminophenyl)-1,3-thiazol-5-yl]aniline
SYSTEMATIC NAME: 3-[2-(3-aminophenyl)-1,3-thiazol-5-yl]aniline
MOLECULAR FORMULA: C15H13N3S
MOLECULAR WEIGHT: 267.34882
SMILES: C1=CC(=CC(=C1)N)C2=CN=C(S2)C3=CC(=CC=C3)N
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Product OPENEYE NAME: 3-butoxy-2-methyl-butan-2-ol
CAS Name: 3-butoxy-2-methyl-2-butanol
IUPAC NAME: 3-butoxy-2-methylbutan-2-ol
SYSTEMATIC NAME: 3-butoxy-2-methyl-butan-2-ol
MOLECULAR FORMULA: C9H20O2
MOLECULAR WEIGHT: 160.2539
SMILES: CCCCOC(C)C(C)(C)O
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Product OPENEYE NAME: 5-benzyloxy-1H-indole; 4-chloro-1H-indole; 5-chloro-1H-indole; 1H-indol-5-amine; 1H-indol-6-amine; indole; 1H-indole-5-carboxylic acid; 1H-indol-4-ol; 1H-indol-5-ol; 4-methoxy-1H-indole; 5-methoxy-1H-indole; 4-methyl-1H-indole; 5-methyl-1H-indole; 6-methy
CAS Name: 4-chloro-1H-indole; 5-chloro-1H-indole; 1H-indol-5-amine; 1H-indol-6-amine; 1H-indole; 1H-indole-5-carboxylic acid; 1H-indol-4-ol; 1H-indol-5-ol; 4-methoxy-1H-indole; 5-methoxy-1H-indole; 4-methyl-1H-indole; 5-methyl-1H-indole; 6-methyl-1H-indole; 5-pheny
IUPAC NAME: 4-chloro-1H-indole; 5-chloro-1H-indole; 1H-indol-5-amine; 1H-indol-6-amine; 1H-indole; 1H-indole-5-carboxylic acid; 1H-indol-4-ol; 1H-indol-5-ol; 4-methoxy-1H-indole; 5-methoxy-1H-indole; 4-methyl-1H-indole; 5-methyl-1H-indole; 6-methyl-1H-indole; 5-pheny
SYSTEMATIC NAME: 4-chloranyl-1H-indole; 5-chloranyl-1H-indole; 1H-indol-5-amine; 1H-indol-6-amine; 1H-indole; 1H-indole-5-carboxylic acid; 1H-indol-4-ol; 1H-indol-5-ol; 4-methoxy-1H-indole; 5-methoxy-1H-indole; 4-methyl-1H-indole; 5-methyl-1H-indole; 6-methyl-1H-indole; 5
MOLECULAR FORMULA: C125H114Cl2N16O7
MOLECULAR WEIGHT: 2023.25166
SMILES: CC1=CC2=C(C=C1)NC=C2.CC1=CC2=C(C=C1)C=CN2.CC1=C2C=CNC2=CC=C1.COC1=CC2=C(C=C1)NC=C2.COC1=CC=CC2=C1C=CN2.C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3.C1=CC=C2C(=C1)C=CN2.C1=CC2=C(C=CN2)C(=C1)O.C1=CC2=C(C=CN2)C(=C1)Cl.C1=CC(=CC2=C1C=CN2)N.C1=CC2=C(C=CN2)C=C1C(=O)O.C1=
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Product OPENEYE NAME: 2-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]-2-phenyl-acetic acid
CAS Name: 2-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]-2-phenylacetic acid
IUPAC NAME: 2-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[3-(1H-imidazol-2-ylmethyl)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C15H14N4O3
MOLECULAR WEIGHT: 298.29666
SMILES: C1C(=NN(C1=O)C(C2=CC=CC=C2)C(=O)O)CC3=NC=CN3
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Product OPENEYE NAME: 2-[5-oxo-3-(3-pyridyl)-4H-pyrazol-1-yl]-2-phenyl-acetic acid
CAS Name: 2-[5-oxo-3-(3-pyridinyl)-4H-pyrazol-1-yl]-2-phenylacetic acid
IUPAC NAME: 2-(5-oxo-3-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylacetic acid
SYSTEMATIC NAME: 2-(5-oxidanylidene-3-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C16H13N3O3
MOLECULAR WEIGHT: 295.29272
SMILES: C1C(=NN(C1=O)C(C2=CC=CC=C2)C(=O)O)C3=CN=CC=C3
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Product OPENEYE NAME: 2-(imidazol-1-ylmethyl)-4H-pyrazol-3-one
CAS Name: 2-(1-imidazolylmethyl)-4H-pyrazol-3-one
IUPAC NAME: 2-(imidazol-1-ylmethyl)-4H-pyrazol-3-one
SYSTEMATIC NAME: 2-(imidazol-1-ylmethyl)-4H-pyrazol-3-one
MOLECULAR FORMULA: C7H8N4O
MOLECULAR WEIGHT: 164.16462
SMILES: C1C=NN(C1=O)CN2C=CN=C2
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Product OPENEYE NAME: 4-methyl-3-(3-pyridyl)-1,4-dihydropyrazol-5-one
CAS Name: 4-methyl-3-(3-pyridinyl)-1,4-dihydropyrazol-5-one
IUPAC NAME: 4-methyl-3-pyridin-3-yl-1,4-dihydropyrazol-5-one
SYSTEMATIC NAME: 4-methyl-3-pyridin-3-yl-1,4-dihydropyrazol-5-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: CC1C(=NNC1=O)C2=CN=CC=C2
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Product OPENEYE NAME: 3-(3-pyridylmethyl)-1,4-dihydropyrazol-5-one
CAS Name: 3-(3-pyridinylmethyl)-1,4-dihydropyrazol-5-one
IUPAC NAME: 3-(pyridin-3-ylmethyl)-1,4-dihydropyrazol-5-one
SYSTEMATIC NAME: 3-(pyridin-3-ylmethyl)-1,4-dihydropyrazol-5-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: C1C(=NNC1=O)CC2=CN=CC=C2
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Product OPENEYE NAME: 1-(2-chloro-N-(5-oxopyrazol-3-yl)anilino)pyrrolidine-2,5-dione; tridecylcyclopentane
CAS Name: 1-(2-chloro-N-(5-oxo-3-pyrazolyl)anilino)pyrrolidine-2,5-dione; tridecylcyclopentane
IUPAC NAME: 1-(2-chloro-N-(5-oxopyrazol-3-yl)anilino)pyrrolidine-2,5-dione; tridecylcyclopentane
SYSTEMATIC NAME: 1-[(2-chlorophenyl)-(5-oxidanylidenepyrazol-3-yl)amino]pyrrolidine-2,5-dione; tridecylcyclopentane
MOLECULAR FORMULA: C31H45ClN4O3
MOLECULAR WEIGHT: 557.167
SMILES: CCCCCCCCCCCCCC1CCCC1.C1CC(=O)N(C1=O)N(C2=CC=CC=C2Cl)C3=CC(=O)N=N3
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Product OPENEYE NAME: 1-(2-chloro-N-(5-oxopyrazol-3-yl)anilino)pyrrolidine-2,5-dione
CAS Name: 1-(2-chloro-N-(5-oxo-3-pyrazolyl)anilino)pyrrolidine-2,5-dione
IUPAC NAME: 1-(2-chloro-N-(5-oxopyrazol-3-yl)anilino)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[(2-chlorophenyl)-(5-oxidanylidenepyrazol-3-yl)amino]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C13H9ClN4O3
MOLECULAR WEIGHT: 304.68856
SMILES: C1CC(=O)N(C1=O)N(C2=CC=CC=C2Cl)C3=CC(=O)N=N3
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Product OPENEYE NAME: 2-[[6-amino-2-[[2-[[2-(2-aminopropanoylamino)-4-methylsulfanyl-butanoyl]amino]-3-carboxy-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoic acid
CAS Name: 2-[[6-amino-2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-4-(methylthio)-1-oxobutyl]amino]-3-carboxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-methylpentanoic acid
IUPAC NAME: 2-[[6-amino-2-[[2-[[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
SYSTEMATIC NAME: 2-[[6-azanyl-2-[[2-[[2-(2-azanylpropanoylamino)-4-methylsulfanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-methyl-pentanoic acid
MOLECULAR FORMULA: C24H44N6O8S
MOLECULAR WEIGHT: 576.70656
SMILES: CCC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(C)N
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Product OPENEYE NAME: 2-[[4-amino-2-[[2-[[6-amino-2-[[2-[(2-amino-3-carboxy-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoic acid
CAS Name: 2-[[4-amino-2-[[2-[[6-amino-2-[[2-[(2-amino-3-carboxy-1-oxopropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-methylpentanoic acid
IUPAC NAME: 2-[[4-amino-2-[[2-[[6-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid
SYSTEMATIC NAME: 2-[[4-azanyl-2-[[2-[[6-azanyl-2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoic acid
MOLECULAR FORMULA: C37H53N11O10
MOLECULAR WEIGHT: 811.88442
SMILES: CCC(C)C(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)N
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Product OPENEYE NAME: tert-butyl 7-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
CAS Name: 7-[[(2E)-2-hydroxyimino-1-oxoethoxy]methyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 7-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
SYSTEMATIC NAME: tert-butyl 7-[[(2E)-2-hydroxyiminoethanoyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
MOLECULAR FORMULA: C17H21NO7
MOLECULAR WEIGHT: 351.35114
SMILES: CC1(OC2=C(C=CC(=C2O1)C(=O)OC(C)(C)C)COC(=O)/C=N/O)C
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