All Chemical Compounds

Tuesday, April 30, 2013

All Chemical Compounds Information

Product OPENEYE NAME: [4-(bromomethyl)phenyl]-(2,6-dichlorophenyl)methanone
CAS Name: [4-(bromomethyl)phenyl]-(2,6-dichlorophenyl)methanone
IUPAC NAME: [4-(bromomethyl)phenyl]-(2,6-dichlorophenyl)methanone
SYSTEMATIC NAME: [2,6-bis(chloranyl)phenyl]-[4-(bromomethyl)phenyl]methanone
MOLECULAR FORMULA: C14H9BrCl2O
MOLECULAR WEIGHT: 344.03066
SMILES: C1=CC(=C(C(=C1)Cl)C(=O)C2=CC=C(C=C2)CBr)Cl
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Product OPENEYE NAME: [4-(bromomethyl)-2,6-dichloro-phenyl]-phenyl-methanone
CAS Name: [4-(bromomethyl)-2,6-dichlorophenyl]-phenylmethanone
IUPAC NAME: [4-(bromomethyl)-2,6-dichlorophenyl]-phenylmethanone
SYSTEMATIC NAME: [4-(bromomethyl)-2,6-bis(chloranyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C14H9BrCl2O
MOLECULAR WEIGHT: 344.03066
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2Cl)CBr)Cl
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Product OPENEYE NAME: [4-(azidomethyl)phenyl]-(4-chlorophenyl)methanone
CAS Name: [4-(azidomethyl)phenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [4-(azidomethyl)phenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [4-(azidomethyl)phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H10ClN3O
MOLECULAR WEIGHT: 271.7017
SMILES: C1=CC(=CC=C1CN=[N+]=[N-])C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [3-(azidomethyl)phenyl]-(4-chlorophenyl)methanone
CAS Name: [3-(azidomethyl)phenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [3-(azidomethyl)phenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [3-(azidomethyl)phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H10ClN3O
MOLECULAR WEIGHT: 271.7017
SMILES: C1=CC(=CC(=C1)CN=[N+]=[N-])C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [4-(azidomethyl)-2-chloro-phenyl]-(4-chlorophenyl)methanone
CAS Name: [4-(azidomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [4-(azidomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [4-(azidomethyl)-2-chloranyl-phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H9Cl2N3O
MOLECULAR WEIGHT: 306.14676
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)CN=[N+]=[N-])Cl)Cl
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Product OPENEYE NAME: [4-(azidomethyl)-2,6-dichloro-phenyl]-(4-chlorophenyl)methanone
CAS Name: [4-(azidomethyl)-2,6-dichlorophenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [4-(azidomethyl)-2,6-dichlorophenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [4-(azidomethyl)-2,6-bis(chloranyl)phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H8Cl3N3O
MOLECULAR WEIGHT: 340.59182
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN=[N+]=[N-])Cl)Cl
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Product OPENEYE NAME: [4-(azidomethyl)phenyl]-(2,6-dichlorophenyl)methanone
CAS Name: [4-(azidomethyl)phenyl]-(2,6-dichlorophenyl)methanone
IUPAC NAME: [4-(azidomethyl)phenyl]-(2,6-dichlorophenyl)methanone
SYSTEMATIC NAME: [4-(azidomethyl)phenyl]-[2,6-bis(chloranyl)phenyl]methanone
MOLECULAR FORMULA: C14H9Cl2N3O
MOLECULAR WEIGHT: 306.14676
SMILES: C1=CC(=C(C(=C1)Cl)C(=O)C2=CC=C(C=C2)CN=[N+]=[N-])Cl
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Product OPENEYE NAME: 5-amino-1-[[3-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
CAS Name: 5-amino-1-[[3-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-4-triazolecarboxamide
IUPAC NAME: 5-amino-1-[[3-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[[3-(4-chlorophenyl)carbonylphenyl]methyl]-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C17H14ClN5O2
MOLECULAR WEIGHT: 355.77836
SMILES: C1=CC(=CC(=C1)CN2C(=C(N=N2)C(=O)N)N)C(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 5-amino-1-[[4-chloro-3-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
CAS Name: 5-amino-1-[[4-chloro-3-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-4-triazolecarboxamide
IUPAC NAME: 5-amino-1-[[4-chloro-3-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[[4-chloranyl-3-(4-chlorophenyl)carbonyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C17H13Cl2N5O2
MOLECULAR WEIGHT: 390.22342
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl
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Product OPENEYE NAME: 5-amino-1-[[4-(2,6-dichlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
CAS Name: 5-amino-1-[[4-[(2,6-dichlorophenyl)-oxomethyl]phenyl]methyl]-4-triazolecarboxamide
IUPAC NAME: 5-amino-1-[[4-(2,6-dichlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[[4-[2,6-bis(chloranyl)phenyl]carbonylphenyl]methyl]-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C17H13Cl2N5O2
MOLECULAR WEIGHT: 390.22342
SMILES: C1=CC(=C(C(=C1)Cl)C(=O)C2=CC=C(C=C2)CN3C(=C(N=N3)C(=O)N)N)Cl
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Product OPENEYE NAME: 5-amino-1-[(4-benzoyl-3,5-dichloro-phenyl)methyl]triazole-4-carboxamide
CAS Name: 5-amino-1-[(4-benzoyl-3,5-dichlorophenyl)methyl]-4-triazolecarboxamide
IUPAC NAME: 5-amino-1-[(4-benzoyl-3,5-dichlorophenyl)methyl]triazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[[3,5-bis(chloranyl)-4-(phenylcarbonyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C17H13Cl2N5O2
MOLECULAR WEIGHT: 390.22342
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl
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Product OPENEYE NAME: 5-amino-1-[[3-chloro-4-(4-chlorophenyl)sulfanyl-phenyl]methyl]triazole-4-carboxamide
CAS Name: 5-amino-1-[[3-chloro-4-[(4-chlorophenyl)thio]phenyl]methyl]-4-triazolecarboxamide
IUPAC NAME: 5-amino-1-[[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]methyl]triazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[[3-chloranyl-4-(4-chlorophenyl)sulfanyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C16H13Cl2N5OS
MOLECULAR WEIGHT: 394.27832
SMILES: C1=CC(=CC=C1SC2=C(C=C(C=C2)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl
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All Chemical Compounds Information

Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12BrN5
MOLECULAR WEIGHT: 378.22538
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=C(N41)Br)C5=CC=CC=N5
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Product OPENEYE NAME: ethyl 1-[(4-chloro-2-nitro-phenyl)methyl]pyrrole-2-carboxylate
CAS Name: 1-[(4-chloro-2-nitrophenyl)methyl]-2-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[(4-chloro-2-nitrophenyl)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 1-[(4-chloranyl-2-nitro-phenyl)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C14H13ClN2O4
MOLECULAR WEIGHT: 308.71702
SMILES: CCOC(=O)C1=CC=CN1CC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 1-[(2-amino-4-chloro-phenyl)methyl]pyrrole-2-carboxylate
CAS Name: 1-[(2-amino-4-chlorophenyl)methyl]-2-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[(2-amino-4-chlorophenyl)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 1-[(2-azanyl-4-chloranyl-phenyl)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C14H15ClN2O2
MOLECULAR WEIGHT: 278.7341
SMILES: CCOC(=O)C1=CC=CN1CC2=C(C=C(C=C2)Cl)N
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Product OPENEYE NAME: 3,6-dichloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
CAS Name: 3,6-dichloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
IUPAC NAME: 3,6-dichloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
SYSTEMATIC NAME: 3,6-bis(chloranyl)-11H-pyrrolo[2,1-c][1,4]benzodiazepine
MOLECULAR FORMULA: C12H8Cl2N2
MOLECULAR WEIGHT: 251.11132
SMILES: C1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CN31)Cl
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Product OPENEYE NAME: 2-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-4-methoxy-phenol
CAS Name: 2-[[[2-(hydroxymethyl)phenyl]thio]methyl]-4-methoxyphenol
IUPAC NAME: 2-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-4-methoxyphenol
SYSTEMATIC NAME: 2-[[2-(hydroxymethyl)phenyl]sulfanylmethyl]-4-methoxy-phenol
MOLECULAR FORMULA: C15H16O3S
MOLECULAR WEIGHT: 276.35074
SMILES: COC1=CC(=C(C=C1)O)CSC2=CC=CC=C2CO
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Product OPENEYE NAME: 2-ethylpentyl prop-2-enoate
CAS Name: 2-propenoic acid 2-ethylpentyl ester
IUPAC NAME: 2-ethylpentyl prop-2-enoate
SYSTEMATIC NAME: 2-ethylpentyl prop-2-enoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCC(CC)COC(=O)C=C
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Product OPENEYE NAME: 5-(trifluoromethyl)oxazolidin-2-one
CAS Name: 5-(trifluoromethyl)-2-oxazolidinone
IUPAC NAME: 5-(trifluoromethyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(trifluoromethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C4H4F3NO2
MOLECULAR WEIGHT: 155.07527
SMILES: C1C(OC(=O)N1)C(F)(F)F
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Product OPENEYE NAME: (2-chloro-4-methyl-phenyl)-(4-chlorophenyl)methanone
CAS Name: (2-chloro-4-methylphenyl)-(4-chlorophenyl)methanone
IUPAC NAME: (2-chloro-4-methylphenyl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (2-chloranyl-4-methyl-phenyl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O
MOLECULAR WEIGHT: 265.1346
SMILES: CC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: (2-chloro-5-methyl-phenyl)-(4-chlorophenyl)methanone
CAS Name: (2-chloro-5-methylphenyl)-(4-chlorophenyl)methanone
IUPAC NAME: (2-chloro-5-methylphenyl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (2-chloranyl-5-methyl-phenyl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O
MOLECULAR WEIGHT: 265.1346
SMILES: CC1=CC(=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (4-chlorophenyl)-(2,6-dichloro-4-methyl-phenyl)methanone
CAS Name: (4-chlorophenyl)-(2,6-dichloro-4-methylphenyl)methanone
IUPAC NAME: (4-chlorophenyl)-(2,6-dichloro-4-methylphenyl)methanone
SYSTEMATIC NAME: [2,6-bis(chloranyl)-4-methyl-phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H9Cl3O
MOLECULAR WEIGHT: 299.57966
SMILES: CC1=CC(=C(C(=C1)Cl)C(=O)C2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: (2,6-dichlorophenyl)-(p-tolyl)methanone
CAS Name: (2,6-dichlorophenyl)-(4-methylphenyl)methanone
IUPAC NAME: (2,6-dichlorophenyl)-(4-methylphenyl)methanone
SYSTEMATIC NAME: [2,6-bis(chloranyl)phenyl]-(4-methylphenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O
MOLECULAR WEIGHT: 265.1346
SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2Cl)Cl
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Product OPENEYE NAME: [3-(bromomethyl)phenyl]-(4-chlorophenyl)methanone
CAS Name: [3-(bromomethyl)phenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [3-(bromomethyl)phenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [3-(bromomethyl)phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H10BrClO
MOLECULAR WEIGHT: 309.5856
SMILES: C1=CC(=CC(=C1)CBr)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [4-(bromomethyl)-2-chloro-phenyl]-(4-chlorophenyl)methanone
CAS Name: [4-(bromomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [4-(bromomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [4-(bromomethyl)-2-chloranyl-phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H9BrCl2O
MOLECULAR WEIGHT: 344.03066
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)CBr)Cl)Cl
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Product OPENEYE NAME: [5-(bromomethyl)-2-chloro-phenyl]-(4-chlorophenyl)methanone
CAS Name: [5-(bromomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [5-(bromomethyl)-2-chlorophenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [5-(bromomethyl)-2-chloranyl-phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H9BrCl2O
MOLECULAR WEIGHT: 344.03066
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)CBr)Cl)Cl
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Product OPENEYE NAME: [4-(bromomethyl)-2,6-dichloro-phenyl]-(4-chlorophenyl)methanone
CAS Name: [4-(bromomethyl)-2,6-dichlorophenyl]-(4-chlorophenyl)methanone
IUPAC NAME: [4-(bromomethyl)-2,6-dichlorophenyl]-(4-chlorophenyl)methanone
SYSTEMATIC NAME: [4-(bromomethyl)-2,6-bis(chloranyl)phenyl]-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H8BrCl3O
MOLECULAR WEIGHT: 378.47572
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CBr)Cl)Cl
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All Chemical Compounds Information

Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H13ClN4
MOLECULAR WEIGHT: 332.78632
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5
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MOLECULAR FORMULA: C19H14Cl2N4
MOLECULAR WEIGHT: 369.24726
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5.Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C19H12Cl2N4
MOLECULAR WEIGHT: 367.23138
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC(=CC=C5)Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C19H13Cl3N4
MOLECULAR WEIGHT: 403.69232
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC(=CC=C5)Cl.Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C21H12F6N4
MOLECULAR WEIGHT: 434.337199
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC(=CC=C5)C(F)(F)F
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MOLECULAR FORMULA: C21H13ClF6N4
MOLECULAR WEIGHT: 470.798139
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC(=CC=C5)C(F)(F)F.Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C19H12ClFN4
MOLECULAR WEIGHT: 350.776783
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5F
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MOLECULAR FORMULA: C19H13Cl2FN4
MOLECULAR WEIGHT: 387.237723
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5F.Cl
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12Cl2N4
MOLECULAR WEIGHT: 367.23138
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5Cl
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MOLECULAR FORMULA: C19H13Cl3N4
MOLECULAR WEIGHT: 403.69232
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5Cl.Cl
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MOLECULAR FORMULA: C20H12ClF3N4
MOLECULAR WEIGHT: 400.78429
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC(=CC=C5)C(F)(F)F
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MOLECULAR FORMULA: C20H13Cl2F3N4
MOLECULAR WEIGHT: 437.24523
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC(=CC=C5)C(F)(F)F.Cl
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MOLECULAR FORMULA: C21H17FN4O2
MOLECULAR WEIGHT: 376.383683
SMILES: COC1=C(C=C2C(=C1)CN3C=CC=C3C4=NN=C(N24)C5=CC=CC=C5F)OC
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MOLECULAR FORMULA: C21H18ClFN4O2
MOLECULAR WEIGHT: 412.844623
SMILES: COC1=C(C=C2C(=C1)CN3C=CC=C3C4=NN=C(N24)C5=CC=CC=C5F)OC.Cl
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MOLECULAR FORMULA: C23H14F3N5
MOLECULAR WEIGHT: 417.38597
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=NC6=CC=CC=C6C=C5
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MOLECULAR FORMULA: C23H15ClF3N5
MOLECULAR WEIGHT: 453.84691
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=NC6=CC=CC=C6C=C5.Cl
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MOLECULAR FORMULA: C22H14ClN5
MOLECULAR WEIGHT: 383.83306
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=NC6=CC=CC=C6C=C5
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MOLECULAR FORMULA: C22H15Cl2N5
MOLECULAR WEIGHT: 420.294
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=NC6=CC=CC=C6C=C5.Cl
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MOLECULAR FORMULA: C22H15N5
MOLECULAR WEIGHT: 349.388
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC=NC6=CC=CC=C56
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MOLECULAR FORMULA: C18H12F3N5
MOLECULAR WEIGHT: 355.31659
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3/C(=C/4\C=CC=N4)/NN=C3C5=CC=CN51
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MOLECULAR FORMULA: C18H13ClF3N5
MOLECULAR WEIGHT: 391.77753
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3/C(=C/4\C=CC=N4)/NN=C3C5=CC=CN51.Cl
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MOLECULAR FORMULA: C17H12ClN5
MOLECULAR WEIGHT: 321.76368
SMILES: C1C2=C(C=C(C=C2)Cl)N3/C(=C/4\C=CC=N4)/NN=C3C5=CC=CN51
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MOLECULAR FORMULA: C17H13Cl2N5
MOLECULAR WEIGHT: 358.22462
SMILES: C1C2=C(C=C(C=C2)Cl)N3/C(=C/4\C=CC=N4)/NN=C3C5=CC=CN51.Cl
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MOLECULAR FORMULA: C17H11ClN4S
MOLECULAR WEIGHT: 338.81404
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CS4)C5=CC=CN51
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All Chemical Compounds Information

Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12ClN5
MOLECULAR WEIGHT: 333.77438
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=C(N41)Cl)C5=CC=CC=N5
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MOLECULAR FORMULA: C18H13Cl2N5
MOLECULAR WEIGHT: 370.23532
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=C(N41)Cl)C5=CC=CC=N5.Cl
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MOLECULAR FORMULA: C18H12ClN5
MOLECULAR WEIGHT: 333.77438
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CN=CC=C5
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MOLECULAR FORMULA: C18H14Cl3N5
MOLECULAR WEIGHT: 406.69626
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CN=CC=C5.Cl.Cl
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MOLECULAR FORMULA: C18H12ClN5
MOLECULAR WEIGHT: 333.77438
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=NC=C5
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12F3N5
MOLECULAR WEIGHT: 367.32729
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC=NC=C5
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MOLECULAR FORMULA: C19H13ClF3N5
MOLECULAR WEIGHT: 403.78823
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC=NC=C5.Cl
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MOLECULAR FORMULA: C19H12F3N5
MOLECULAR WEIGHT: 367.32729
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CN=CC=C5
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MOLECULAR FORMULA: C19H13ClF3N5
MOLECULAR WEIGHT: 403.78823
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CN=CC=C5.Cl
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H17N5O2
MOLECULAR WEIGHT: 359.38128
SMILES: COC1=C(C=C2C(=C1)CN3C=CC=C3C4=NN=C(N24)C5=CC=CC=N5)OC
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MOLECULAR FORMULA: C20H18ClN5O2
MOLECULAR WEIGHT: 395.84222
SMILES: COC1=C(C=C2C(=C1)CN3C=CC=C3C4=NN=C(N24)C5=CC=CC=N5)OC.Cl
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MOLECULAR FORMULA: C18H11Cl2N5
MOLECULAR WEIGHT: 368.21944
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC(=CN41)Cl)C5=CC=CC=N5
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MOLECULAR FORMULA: C20H13F3N4
MOLECULAR WEIGHT: 366.33923
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5
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MOLECULAR FORMULA: C20H14ClF3N4
MOLECULAR WEIGHT: 402.80017
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5.Cl
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MOLECULAR FORMULA: C20H13F3N4
MOLECULAR WEIGHT: 366.33923
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC(=CC=C5)C(F)(F)F
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MOLECULAR FORMULA: C20H14ClF3N4
MOLECULAR WEIGHT: 402.80017
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC(=CC=C5)C(F)(F)F.Cl
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H14N4
MOLECULAR WEIGHT: 298.34126
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5
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MOLECULAR FORMULA: C19H15ClN4
MOLECULAR WEIGHT: 334.8022
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC=CC=C5.Cl
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All Chemical Compounds Information

Product OPENEYE NAME: (2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CAS Name: (2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
IUPAC NAME: (2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
SYSTEMATIC NAME: (2R,3R)-9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one
MOLECULAR FORMULA: C20H23ClN2O3S
MOLECULAR WEIGHT: 406.92622
SMILES: CN(C)CCN1C2=C(C(=CC=C2)Cl)S[C@@H]([C@@H](C1=O)O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CAS Name: acetic acid [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
IUPAC NAME: [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C22H25ClN2O4S
MOLECULAR WEIGHT: 448.9629
SMILES: CC(=O)OC1C(SC2=C(C=CC=C2Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
CAS Name: acetic acid [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester hydrochloride
IUPAC NAME: [9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C22H26Cl2N2O4S
MOLECULAR WEIGHT: 485.42384
SMILES: CC(=O)OC1C(SC2=C(C=CC=C2Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
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Product OPENEYE NAME: [(2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CAS Name: acetic acid [(2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
IUPAC NAME: [(2R,3R)-9-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [(2R,3R)-9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C22H25ClN2O4S
MOLECULAR WEIGHT: 448.9629
SMILES: CC(=O)O[C@H]1[C@H](SC2=C(C=CC=C2Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CAS Name: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
IUPAC NAME: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
SYSTEMATIC NAME: 6-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one
MOLECULAR FORMULA: C20H23ClN2O3S
MOLECULAR WEIGHT: 406.92622
SMILES: CN(C)CCN1C(=O)C(C(SC2=C1C(=CC=C2)Cl)C3=CC=C(C=C3)OC)O
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Product OPENEYE NAME: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
CAS Name: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
IUPAC NAME: 6-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
SYSTEMATIC NAME: 6-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
MOLECULAR FORMULA: C20H24Cl2N2O3S
MOLECULAR WEIGHT: 443.38716
SMILES: CN(C)CCN1C(=O)C(C(SC2=C1C(=CC=C2)Cl)C3=CC=C(C=C3)OC)O.Cl
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Product OPENEYE NAME: [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
CAS Name: acetic acid [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
IUPAC NAME: [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [6-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C22H25ClN2O4S
MOLECULAR WEIGHT: 448.9629
SMILES: CC(=O)OC1C(SC2=C(C(=CC=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
CAS Name: acetic acid [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester hydrochloride
IUPAC NAME: [6-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [6-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C22H26Cl2N2O4S
MOLECULAR WEIGHT: 485.42384
SMILES: CC(=O)OC1C(SC2=C(C(=CC=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
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Product OPENEYE NAME: [9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
CAS Name: acetic acid [9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester
IUPAC NAME: [9-chloro-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [9-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C18H16ClNO4S
MOLECULAR WEIGHT: 377.84194
SMILES: CC(=O)OC1C(SC2=C(C=CC=C2Cl)NC1=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (2-acetamidophenyl) diethyl phosphate
CAS Name: phosphoric acid (2-acetamidophenyl) diethyl ester
IUPAC NAME: (2-acetamidophenyl) diethyl phosphate
SYSTEMATIC NAME: (2-acetamidophenyl) diethyl phosphate
MOLECULAR FORMULA: C12H18NO5P
MOLECULAR WEIGHT: 287.248781
SMILES: CCOP(=O)(OCC)OC1=CC=CC=C1NC(=O)C
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Product OPENEYE NAME: 3-diisopropoxyphosphorylaniline
CAS Name: 3-di(propan-2-yloxy)phosphorylaniline
IUPAC NAME: 3-di(propan-2-yloxy)phosphorylaniline
SYSTEMATIC NAME: 3-di(propan-2-yloxy)phosphorylaniline
MOLECULAR FORMULA: C12H20NO3P
MOLECULAR WEIGHT: 257.265861
SMILES: CC(C)OP(=O)(C1=CC=CC(=C1)N)OC(C)C
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Product OPENEYE NAME: methyl 1-[(2-nitrophenyl)methyl]pyrrole-2-carboxylate
CAS Name: 1-[(2-nitrophenyl)methyl]-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2-nitrophenyl)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 1-[(2-nitrophenyl)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H12N2O4
MOLECULAR WEIGHT: 260.24538
SMILES: COC(=O)C1=CC=CN1CC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: methyl 1-[(2-aminophenyl)methyl]pyrrole-2-carboxylate
CAS Name: 1-[(2-aminophenyl)methyl]-2-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2-aminophenyl)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 1-[(2-aminophenyl)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: COC(=O)C1=CC=CN1CC2=CC=CC=C2N
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Product OPENEYE NAME: 6-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
CAS Name: 6-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
IUPAC NAME: 6-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepine
SYSTEMATIC NAME: 6-chloranyl-11H-pyrrolo[2,1-c][1,4]benzodiazepine
MOLECULAR FORMULA: C12H9ClN2
MOLECULAR WEIGHT: 216.66626
SMILES: C1C2=CC=CC=C2N=C(C3=CC=CN31)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C18H13N5
MOLECULAR WEIGHT: 299.32932
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5
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MOLECULAR FORMULA: C18H14ClN5
MOLECULAR WEIGHT: 335.79026
SMILES: C1C2=CC=CC=C2N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5.Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C18H12ClN5
MOLECULAR WEIGHT: 333.77438
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5
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MOLECULAR FORMULA: C18H13Cl2N5
MOLECULAR WEIGHT: 370.23532
SMILES: C1C2=C(C=C(C=C2)Cl)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5.Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C19H12F3N5
MOLECULAR WEIGHT: 367.32729
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5
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MOLECULAR FORMULA: C19H13ClF3N5
MOLECULAR WEIGHT: 403.78823
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N3C(=NN=C3C4=CC=CN41)C5=CC=CC=N5.Cl
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All Chemical Compounds Information

Product OPENEYE NAME: 4-imidazo[1,5-a]pyridin-5-ylbenzaldehyde
CAS Name: 4-(5-imidazo[1,5-a]pyridinyl)benzaldehyde
IUPAC NAME: 4-imidazo[1,5-a]pyridin-5-ylbenzaldehyde
SYSTEMATIC NAME: 4-imidazo[1,5-a]pyridin-5-ylbenzaldehyde
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC2=CN=CN2C(=C1)C3=CC=C(C=C3)C=O
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Product OPENEYE NAME: (E)-3-(4-imidazo[1,5-a]pyridin-5-ylphenyl)-2-methyl-prop-2-enoic acid
CAS Name: (E)-3-[4-(5-imidazo[1,5-a]pyridinyl)phenyl]-2-methyl-2-propenoic acid
IUPAC NAME: (E)-3-(4-imidazo[1,5-a]pyridin-5-ylphenyl)-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-imidazo[1,5-a]pyridin-5-ylphenyl)-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: C/C(=C\C1=CC=C(C=C1)C2=CC=CC3=CN=CN32)/C(=O)O
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Product OPENEYE NAME: 2-(4-imidazo[1,5-a]pyridin-5-ylbutylsulfanyl)acetic acid
CAS Name: 2-[4-(5-imidazo[1,5-a]pyridinyl)butylthio]acetic acid
IUPAC NAME: 2-(4-imidazo[1,5-a]pyridin-5-ylbutylsulfanyl)acetic acid
SYSTEMATIC NAME: 2-(4-imidazo[1,5-a]pyridin-5-ylbutylsulfanyl)ethanoic acid
MOLECULAR FORMULA: C13H16N2O2S
MOLECULAR WEIGHT: 264.34334
SMILES: C1=CC2=CN=CN2C(=C1)CCCCSCC(=O)O
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Product OPENEYE NAME: ethyl 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoate
CAS Name: 4-[4-(5-imidazo[1,5-a]pyridinyl)butoxy]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoate
SYSTEMATIC NAME: ethyl 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoate
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CCOC(=O)C1=CC=C(C=C1)OCCCCC2=CC=CC3=CN=CN32
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Product OPENEYE NAME: 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoic acid
CAS Name: 4-[4-(5-imidazo[1,5-a]pyridinyl)butoxy]benzoic acid
IUPAC NAME: 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoic acid
SYSTEMATIC NAME: 4-(4-imidazo[1,5-a]pyridin-5-ylbutoxy)benzoic acid
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: C1=CC2=CN=CN2C(=C1)CCCCOC3=CC=C(C=C3)C(=O)O
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Product OPENEYE NAME: 5-(4-bromophenyl)imidazo[1,5-a]pyridine
CAS Name: 5-(4-bromophenyl)imidazo[1,5-a]pyridine
IUPAC NAME: 5-(4-bromophenyl)imidazo[1,5-a]pyridine
SYSTEMATIC NAME: 5-(4-bromophenyl)imidazo[1,5-a]pyridine
MOLECULAR FORMULA: C13H9BrN2
MOLECULAR WEIGHT: 273.12796
SMILES: C1=CC2=CN=CN2C(=C1)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 6-(4-bromophenyl)pyridine-2-carbonitrile
CAS Name: 6-(4-bromophenyl)-2-pyridinecarbonitrile
IUPAC NAME: 6-(4-bromophenyl)pyridine-2-carbonitrile
SYSTEMATIC NAME: 6-(4-bromophenyl)pyridine-2-carbonitrile
MOLECULAR FORMULA: C12H7BrN2
MOLECULAR WEIGHT: 259.10138
SMILES: C1=CC(=NC(=C1)C2=CC=C(C=C2)Br)C#N
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Product OPENEYE NAME: [6-(4-bromophenyl)-2-pyridyl]methanamine
CAS Name: [6-(4-bromophenyl)-2-pyridinyl]methanamine
IUPAC NAME: [6-(4-bromophenyl)pyridin-2-yl]methanamine
SYSTEMATIC NAME: [6-(4-bromophenyl)pyridin-2-yl]methanamine
MOLECULAR FORMULA: C12H11BrN2
MOLECULAR WEIGHT: 263.13314
SMILES: C1=CC(=NC(=C1)CN)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: ethyl 4-[6-(aminomethyl)-2-pyridyl]benzoate
CAS Name: 4-[6-(aminomethyl)-2-pyridinyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[6-(aminomethyl)pyridin-2-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[6-(aminomethyl)pyridin-2-yl]benzoate
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=NC(=CC=C2)CN
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Product OPENEYE NAME: ethyl 4-[6-(formamidomethyl)-2-pyridyl]benzoate
CAS Name: 4-[6-(formamidomethyl)-2-pyridinyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[6-(formamidomethyl)pyridin-2-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[6-(formamidomethyl)pyridin-2-yl]benzoate
MOLECULAR FORMULA: C16H16N2O3
MOLECULAR WEIGHT: 284.30984
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=NC(=CC=C2)CNC=O
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Product OPENEYE NAME: N-[[6-(4-bromophenyl)-2-pyridyl]methyl]formamide
CAS Name: N-[[6-(4-bromophenyl)-2-pyridinyl]methyl]formamide
IUPAC NAME: N-[[6-(4-bromophenyl)pyridin-2-yl]methyl]formamide
SYSTEMATIC NAME: N-[[6-(4-bromophenyl)pyridin-2-yl]methyl]methanamide
MOLECULAR FORMULA: C13H11BrN2O
MOLECULAR WEIGHT: 291.14324
SMILES: C1=CC(=NC(=C1)CNC=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: (2S)-2-amino-4-fluoro-pentanedioic acid
CAS Name: (2S)-2-amino-4-fluoropentanedioic acid
IUPAC NAME: (2S)-2-amino-4-fluoropentanedioic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-fluoranyl-pentanedioic acid
MOLECULAR FORMULA: C5H8FNO4
MOLECULAR WEIGHT: 165.119723
SMILES: C([C@@H](C(=O)O)N)C(C(=O)O)F
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Product OPENEYE NAME: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CAS Name: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
IUPAC NAME: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
SYSTEMATIC NAME: 9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one
MOLECULAR FORMULA: C20H23ClN2O3S
MOLECULAR WEIGHT: 406.92622
SMILES: CN(C)CCN1C2=C(C(=CC=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
CAS Name: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
IUPAC NAME: 9-chloro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
SYSTEMATIC NAME: 9-chloranyl-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
MOLECULAR FORMULA: C20H24Cl2N2O3S
MOLECULAR WEIGHT: 443.38716
SMILES: CN(C)CCN1C2=C(C(=CC=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OC.Cl
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All Chemical Compounds Information

Product OPENEYE NAME: 5,8-dimethyl-2-oxido-phthalazin-2-ium
CAS Name: 5,8-dimethyl-2-oxidophthalazin-2-ium
IUPAC NAME: 5,8-dimethyl-2-oxidophthalazin-2-ium
SYSTEMATIC NAME: 5,8-dimethyl-2-oxidanidyl-phthalazin-2-ium
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: CC1=C2C=N[N+](=CC2=C(C=C1)C)[O-]
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Product OPENEYE NAME: 5,6,8-trimethylphthalazine
CAS Name: 5,6,8-trimethylphthalazine
IUPAC NAME: 5,6,8-trimethylphthalazine
SYSTEMATIC NAME: 5,6,8-trimethylphthalazine
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: CC1=CC(=C(C2=CN=NC=C12)C)C
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Product OPENEYE NAME: 5,6,7,8-tetramethylphthalazine
CAS Name: 5,6,7,8-tetramethylphthalazine
IUPAC NAME: 5,6,7,8-tetramethylphthalazine
SYSTEMATIC NAME: 5,6,7,8-tetramethylphthalazine
MOLECULAR FORMULA: C12H14N2
MOLECULAR WEIGHT: 186.25296
SMILES: CC1=C(C2=CN=NC=C2C(=C1C)C)C
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Product OPENEYE NAME: 5-fluorophthalazine
CAS Name: 5-fluorophthalazine
IUPAC NAME: 5-fluorophthalazine
SYSTEMATIC NAME: 5-fluoranylphthalazine
MOLECULAR FORMULA: C8H5FN2
MOLECULAR WEIGHT: 148.137103
SMILES: C1=CC2=CN=NC=C2C(=C1)F
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Product OPENEYE NAME: 5-(5-bromo-2,3-dihydrobenzofuran-2-yl)-1H-imidazole
CAS Name: 5-(5-bromo-2,3-dihydrobenzofuran-2-yl)-1H-imidazole
IUPAC NAME: 5-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-1H-imidazole
SYSTEMATIC NAME: 5-(5-bromanyl-2,3-dihydro-1-benzofuran-2-yl)-1H-imidazole
MOLECULAR FORMULA: C11H9BrN2O
MOLECULAR WEIGHT: 265.10596
SMILES: C1C(OC2=C1C=C(C=C2)Br)C3=CN=CN3
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Product OPENEYE NAME: 5-(5-bromo-2,3-dihydrobenzofuran-2-yl)-1H-imidazole hydrochloride
CAS Name: 5-(5-bromo-2,3-dihydrobenzofuran-2-yl)-1H-imidazole hydrochloride
IUPAC NAME: 5-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-1H-imidazole hydrochloride
SYSTEMATIC NAME: 5-(5-bromanyl-2,3-dihydro-1-benzofuran-2-yl)-1H-imidazole hydrochloride
MOLECULAR FORMULA: C11H10BrClN2O
MOLECULAR WEIGHT: 301.5669
SMILES: C1C(OC2=C1C=C(C=C2)Br)C3=CN=CN3.Cl
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Product OPENEYE NAME: 3,5-dimethyl-1H-indene-2-carboxylic acid
CAS Name: 3,5-dimethyl-1H-indene-2-carboxylic acid
IUPAC NAME: 3,5-dimethyl-1H-indene-2-carboxylic acid
SYSTEMATIC NAME: 3,5-dimethyl-1H-indene-2-carboxylic acid
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC1=CC2=C(CC(=C2C)C(=O)O)C=C1
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Product OPENEYE NAME: 3,7-dimethyl-1H-indene-2-carboxylic acid
CAS Name: 3,7-dimethyl-1H-indene-2-carboxylic acid
IUPAC NAME: 3,7-dimethyl-1H-indene-2-carboxylic acid
SYSTEMATIC NAME: 3,7-dimethyl-1H-indene-2-carboxylic acid
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC1=CC=CC2=C1CC(=C2C)C(=O)O
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Product OPENEYE NAME: 1,4-dimethylindane-2-carboxylic acid
CAS Name: 1,4-dimethyl-2,3-dihydro-1H-indene-2-carboxylic acid
IUPAC NAME: 1,4-dimethyl-2,3-dihydro-1H-indene-2-carboxylic acid
SYSTEMATIC NAME: 1,4-dimethyl-2,3-dihydro-1H-indene-2-carboxylic acid
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CC1C(CC2=C1C=CC=C2C)C(=O)O
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Product OPENEYE NAME: 1-(1,4-dimethylindan-2-yl)ethanone
CAS Name: 1-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)ethanone
IUPAC NAME: 1-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)ethanone
SYSTEMATIC NAME: 1-(1,4-dimethyl-2,3-dihydro-1H-inden-2-yl)ethanone
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: CC1C(CC2=C1C=CC=C2C)C(=O)C
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Product OPENEYE NAME: 5-(2-methylindan-2-yl)-1H-imidazole
CAS Name: 5-(2-methyl-1,3-dihydroinden-2-yl)-1H-imidazole
IUPAC NAME: 5-(2-methyl-1,3-dihydroinden-2-yl)-1H-imidazole
SYSTEMATIC NAME: 5-(2-methyl-1,3-dihydroinden-2-yl)-1H-imidazole
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: CC1(CC2=CC=CC=C2C1)C3=CN=CN3
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Product OPENEYE NAME: 5-indan-2-yl-1H-imidazole
CAS Name: 5-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole
IUPAC NAME: 5-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole
SYSTEMATIC NAME: 5-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: C1C(CC2=CC=CC=C21)C3=CN=CN3
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Product OPENEYE NAME: 5-indan-2-yl-1H-imidazole hydrochloride
CAS Name: 5-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride
IUPAC NAME: 5-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride
SYSTEMATIC NAME: 5-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride
MOLECULAR FORMULA: C12H13ClN2
MOLECULAR WEIGHT: 220.69802
SMILES: C1C(CC2=CC=CC=C21)C3=CN=CN3.Cl
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Product OPENEYE NAME: 5-(2-ethylindan-2-yl)-1H-imidazole hydrochloride
CAS Name: 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole hydrochloride
IUPAC NAME: 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole hydrochloride
SYSTEMATIC NAME: 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole hydrochloride
MOLECULAR FORMULA: C14H17ClN2
MOLECULAR WEIGHT: 248.75118
SMILES: CCC1(CC2=CC=CC=C2C1)C3=CN=CN3.Cl
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Product OPENEYE NAME: 2-[(4-imidazo[1,5-a]pyridin-5-ylphenyl)methyl]prop-2-enoic acid
CAS Name: 2-[[4-(5-imidazo[1,5-a]pyridinyl)phenyl]methyl]-2-propenoic acid
IUPAC NAME: 2-[(4-imidazo[1,5-a]pyridin-5-ylphenyl)methyl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[(4-imidazo[1,5-a]pyridin-5-ylphenyl)methyl]prop-2-enoic acid
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: C=C(CC1=CC=C(C=C1)C2=CC=CC3=CN=CN32)C(=O)O
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Product OPENEYE NAME: (2E,4E)-10-imidazo[1,5-a]pyridin-5-yldeca-2,4-dienoic acid
CAS Name: (2E,4E)-10-(5-imidazo[1,5-a]pyridinyl)deca-2,4-dienoic acid
IUPAC NAME: (2E,4E)-10-imidazo[1,5-a]pyridin-5-yldeca-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-10-imidazo[1,5-a]pyridin-5-yldeca-2,4-dienoic acid
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: C1=CC2=CN=CN2C(=C1)CCCCC/C=C/C=C/C(=O)O
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Product OPENEYE NAME: ethyl 4-imidazo[1,5-a]pyridin-5-ylbenzoate
CAS Name: 4-(5-imidazo[1,5-a]pyridinyl)benzoic acid ethyl ester
IUPAC NAME: ethyl 4-imidazo[1,5-a]pyridin-5-ylbenzoate
SYSTEMATIC NAME: ethyl 4-imidazo[1,5-a]pyridin-5-ylbenzoate
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=CC=CC3=CN=CN32
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Product OPENEYE NAME: (4-imidazo[1,5-a]pyridin-5-ylphenyl)methanol
CAS Name: [4-(5-imidazo[1,5-a]pyridinyl)phenyl]methanol
IUPAC NAME: (4-imidazo[1,5-a]pyridin-5-ylphenyl)methanol
SYSTEMATIC NAME: (4-imidazo[1,5-a]pyridin-5-ylphenyl)methanol
MOLECULAR FORMULA: C14H12N2O
MOLECULAR WEIGHT: 224.25788
SMILES: C1=CC2=CN=CN2C(=C1)C3=CC=C(C=C3)CO
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