Product OPENEYE NAME: 2-(8-chloro-6-phenyl-4H-pyrazolo[3,4-d][2]benzazepin-2-yl)acetic acid
CAS Name: 2-(8-chloro-6-phenyl-4H-pyrazolo[3,4-d][2]benzazepin-2-yl)acetic acid
IUPAC NAME: 2-(8-chloro-6-phenyl-4H-pyrazolo[3,4-d][2]benzazepin-2-yl)acetic acid
SYSTEMATIC NAME: 2-(8-chloranyl-6-phenyl-4H-pyrazolo[3,4-d][2]benzazepin-2-yl)ethanoic acid
MOLECULAR FORMULA: C19H14ClN3O2
MOLECULAR WEIGHT: 351.78636
SMILES: C1C2=NN(C=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)CC(=O)O
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Product OPENEYE NAME: [2-(4,5-dihydro-3H-pyrazol-4-yl)phenyl]-phenyl-methanone
CAS Name: [2-(4,5-dihydro-3H-pyrazol-4-yl)phenyl]-phenylmethanone
IUPAC NAME: [2-(4,5-dihydro-3H-pyrazol-4-yl)phenyl]-phenylmethanone
SYSTEMATIC NAME: [2-(4,5-dihydro-3H-pyrazol-4-yl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: C1C(CN=N1)C2=CC=CC=C2C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(2-benzoyl-4-chloro-phenyl)propanenitrile
CAS Name: 3-(2-benzoyl-4-chlorophenyl)propanenitrile
IUPAC NAME: 3-(2-benzoyl-4-chlorophenyl)propanenitrile
SYSTEMATIC NAME: 3-[4-chloranyl-2-(phenylcarbonyl)phenyl]propanenitrile
MOLECULAR FORMULA: C16H12ClNO
MOLECULAR WEIGHT: 269.72558
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)CCC#N
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Product OPENEYE NAME: 4-(2-benzoyl-4-chloro-phenyl)-5-methyl-1H-pyrazole-3-carbonitrile
CAS Name: 4-(2-benzoyl-4-chlorophenyl)-5-methyl-1H-pyrazole-3-carbonitrile
IUPAC NAME: 4-(2-benzoyl-4-chlorophenyl)-5-methyl-1H-pyrazole-3-carbonitrile
SYSTEMATIC NAME: 4-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-methyl-1H-pyrazole-3-carbonitrile
MOLECULAR FORMULA: C18H12ClN3O
MOLECULAR WEIGHT: 321.76038
SMILES: CC1=C(C(=NN1)C#N)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 6-phenyl-3,4-dihydropyrazolo[3,4-d][2]benzazepine
CAS Name: 6-phenyl-3,4-dihydropyrazolo[3,4-d][2]benzazepine
IUPAC NAME: 6-phenyl-3,4-dihydropyrazolo[3,4-d][2]benzazepine
SYSTEMATIC NAME: 6-phenyl-3,4-dihydropyrazolo[3,4-d][2]benzazepine
MOLECULAR FORMULA: C17H13N3
MOLECULAR WEIGHT: 259.30522
SMILES: C1C2=C(C=NN2)C3=CC=CC=C3C(=N1)C4=CC=CC=C4
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Product OPENEYE NAME: 6-(2-chlorophenyl)-1,2-dimethyl-8-nitro-4H-pyrazolo[3,4-d][2]benzazepine; fumaric acid
CAS Name: (E)-2-butenedioic acid; 6-(2-chlorophenyl)-1,2-dimethyl-8-nitro-4H-pyrazolo[3,4-d][2]benzazepine
IUPAC NAME: (E)-but-2-enedioic acid; 6-(2-chlorophenyl)-1,2-dimethyl-8-nitro-4H-pyrazolo[3,4-d][2]benzazepine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 6-(2-chlorophenyl)-1,2-dimethyl-8-nitro-4H-pyrazolo[3,4-d][2]benzazepine
MOLECULAR FORMULA: C23H19ClN4O6
MOLECULAR WEIGHT: 482.87316
SMILES: CC1=C2C(=NN1C)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O
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Product OPENEYE NAME: pyrazolo[3,4-d][2]benzazepine
CAS Name: pyrazolo[3,4-d][2]benzazepine
IUPAC NAME: pyrazolo[3,4-d][2]benzazepine
SYSTEMATIC NAME: pyrazolo[3,4-d][2]benzazepine
MOLECULAR FORMULA: C11H7N3
MOLECULAR WEIGHT: 181.19338
SMILES: C1=CC=C2C(=C1)C=NC=C3C2=CN=N3
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Product OPENEYE NAME: (Z)-ethyl-(nitrocarbamoyl)-(oxohydrazono)ammonium
CAS Name: (Z)-ethyl-[nitramido(oxo)methyl]-(oxohydrazinylidene)ammonium
IUPAC NAME: (Z)-ethyl-(nitrocarbamoyl)-(oxohydrazinylidene)azanium
SYSTEMATIC NAME: (Z)-ethyl-(nitrocarbamoyl)-(oxidanylidenehydrazinylidene)azanium
MOLECULAR FORMULA: C3H6N5O4+
MOLECULAR WEIGHT: 176.11084
SMILES: CC/[N+](=N/N=O)/C(=O)N[N+](=O)[O-]
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Product OPENEYE NAME: 2-propanoyloxybutanedioic acid
CAS Name: 2-(1-oxopropoxy)butanedioic acid
IUPAC NAME: 2-propanoyloxybutanedioic acid
SYSTEMATIC NAME: 2-propanoyloxybutanedioic acid
MOLECULAR FORMULA: C7H10O6
MOLECULAR WEIGHT: 190.1507
SMILES: CCC(=O)OC(CC(=O)O)C(=O)O
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Product OPENEYE NAME: 2-(ethoxymethyl)butanedioic acid
CAS Name: 2-(ethoxymethyl)butanedioic acid
IUPAC NAME: 2-(ethoxymethyl)butanedioic acid
SYSTEMATIC NAME: 2-(ethoxymethyl)butanedioic acid
MOLECULAR FORMULA: C7H12O5
MOLECULAR WEIGHT: 176.16718
SMILES: CCOCC(CC(=O)O)C(=O)O
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Product OPENEYE NAME: 2-allyloxybutanedioic acid
CAS Name: 2-prop-2-enoxybutanedioic acid
IUPAC NAME: 2-prop-2-enoxybutanedioic acid
SYSTEMATIC NAME: 2-prop-2-enoxybutanedioic acid
MOLECULAR FORMULA: C7H10O5
MOLECULAR WEIGHT: 174.1513
SMILES: C=CCOC(CC(=O)O)C(=O)O
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Product OPENEYE NAME: 2-isopropoxybutanedioic acid
CAS Name: 2-propan-2-yloxybutanedioic acid
IUPAC NAME: 2-propan-2-yloxybutanedioic acid
SYSTEMATIC NAME: 2-propan-2-yloxybutanedioic acid
MOLECULAR FORMULA: C7H12O5
MOLECULAR WEIGHT: 176.16718
SMILES: CC(C)OC(CC(=O)O)C(=O)O
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Product OPENEYE NAME: 2-(2-methylpropanoyloxy)butanedioic acid
CAS Name: 2-(2-methyl-1-oxopropoxy)butanedioic acid
IUPAC NAME: 2-(2-methylpropanoyloxy)butanedioic acid
SYSTEMATIC NAME: 2-(2-methylpropanoyloxy)butanedioic acid
MOLECULAR FORMULA: C8H12O6
MOLECULAR WEIGHT: 204.17728
SMILES: CC(C)C(=O)OC(CC(=O)O)C(=O)O
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Product OPENEYE NAME: N1-(p-tolyl)benzene-1,2,4-triamine
CAS Name: N1-(4-methylphenyl)benzene-1,2,4-triamine
IUPAC NAME: 1-N-(4-methylphenyl)benzene-1,2,4-triamine
SYSTEMATIC NAME: N1-(4-methylphenyl)benzene-1,2,4-triamine
MOLECULAR FORMULA: C13H15N3
MOLECULAR WEIGHT: 213.2783
SMILES: CC1=CC=C(C=C1)NC2=C(C=C(C=C2)N)N
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Product OPENEYE NAME: 2,5-dimethylenehexane-1,6-diamine
CAS Name: 2,5-dimethylenehexane-1,6-diamine
IUPAC NAME: 2,5-dimethylidenehexane-1,6-diamine
SYSTEMATIC NAME: 2,5-dimethylidenehexane-1,6-diamine
MOLECULAR FORMULA: C8H16N2
MOLECULAR WEIGHT: 140.22604
SMILES: C=C(CCC(=C)CN)CN
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Product OPENEYE NAME: (3-amino-4-anilino-phenyl)-(3-aminophenyl)methanone
CAS Name: (3-amino-4-anilinophenyl)-(3-aminophenyl)methanone
IUPAC NAME: (3-amino-4-anilinophenyl)-(3-aminophenyl)methanone
SYSTEMATIC NAME: (3-aminophenyl)-(3-azanyl-4-phenylazanyl-phenyl)methanone
MOLECULAR FORMULA: C19H17N3O
MOLECULAR WEIGHT: 303.35778
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)N)N
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Product OPENEYE NAME: 2,3-dihydroxybutanedioic acid; 3-oxabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
CAS Name: 2,3-dihydroxybutanedioic acid; 3-oxabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
IUPAC NAME: 2,3-dihydroxybutanedioic acid; 3-oxabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioic acid; 3-oxabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
MOLECULAR FORMULA: C12H10O9
MOLECULAR WEIGHT: 298.2024
SMILES: C1=CC2=CC(=C1)C(=O)OC2=O.C(C(C(=O)O)O)(C(=O)O)O
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