Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CAS Name: 3-(2,3-dimethoxyphenyl)propanoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H20N2O4
MOLECULAR WEIGHT: 364.3945
SMILES: COC1=CC=CC(=C1OC)CCC(=O)OCC2=CN3C=CC=CC3=C2C#N
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Product OPENEYE NAME: (2,5-dimethoxyphenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid (2,5-dimethoxyphenyl)methyl ester
IUPAC NAME: (2,5-dimethoxyphenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: (2,5-dimethoxyphenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C20H22N4O5
MOLECULAR WEIGHT: 398.41248
SMILES: CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OCC3=C(C=CC(=C3)OC)OC)C
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Product OPENEYE NAME: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-pyrazolo[3,4-b]pyridine-5-carboxamide
CAS Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C23H20N4O3
MOLECULAR WEIGHT: 400.4299
SMILES: C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5
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Product OPENEYE NAME: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-pyrazolo[3,4-b]pyridine-5-carboxamide
CAS Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C23H20N4O3
MOLECULAR WEIGHT: 400.4299
SMILES: C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate
CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate
MOLECULAR FORMULA: C21H15N5O4
MOLECULAR WEIGHT: 401.3749
SMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)OCC3=CN4C=CC=CC4=C3C#N)C(=O)N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(1-piperidyl)benzoate
CAS Name: 5-(dimethylsulfamoyl)-2-(1-piperidinyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate
MOLECULAR FORMULA: C24H26N4O4S
MOLECULAR WEIGHT: 466.55264
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)OCC3=CN4C=CC=CC4=C3C#N
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate
CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxylic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C24H20N4O4
MOLECULAR WEIGHT: 428.44
SMILES: CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)OCC4=CN5C=CC=CC5=C4C#N
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Product OPENEYE NAME: [(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-fluorophenoxy)methyl]-4-methyl-thiazol-5-yl]methanone
CAS Name: [(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-[2-[(4-fluorophenoxy)methyl]-4-methyl-5-thiazolyl]methanone
IUPAC NAME: [(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
SYSTEMATIC NAME: [(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
MOLECULAR FORMULA: C24H25FN2O4S
MOLECULAR WEIGHT: 456.529703
SMILES: CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)N3CCC[C@H]3C4=C(C=C(C=C4)OC)OC
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Product OPENEYE NAME: [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-fluorophenoxy)methyl]-4-methyl-thiazol-5-yl]methanone
CAS Name: [(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-[2-[(4-fluorophenoxy)methyl]-4-methyl-5-thiazolyl]methanone
IUPAC NAME: [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
SYSTEMATIC NAME: [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-fluoranylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
MOLECULAR FORMULA: C24H25FN2O4S
MOLECULAR WEIGHT: 456.529703
SMILES: CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)N3CCC[C@@H]3C4=C(C=C(C=C4)OC)OC
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Product OPENEYE NAME: 3-[3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one
CAS Name: 3-[3-[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone
IUPAC NAME: 3-[3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-[3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C23H27N3O4S
MOLECULAR WEIGHT: 441.54318
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCC[C@H]3C4=C(C=C(C=C4)OC)OC)C
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Product OPENEYE NAME: 3-[3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one
CAS Name: 3-[3-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone
IUPAC NAME: 3-[3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-[3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C23H27N3O4S
MOLECULAR WEIGHT: 441.54318
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCC[C@@H]3C4=C(C=C(C=C4)OC)OC)C
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Product OPENEYE NAME: 3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide
CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
IUPAC NAME: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SYSTEMATIC NAME: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
MOLECULAR FORMULA: C24H31N6O2+
MOLECULAR WEIGHT: 435.54194
SMILES: CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]butane-1,4-dione
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
MOLECULAR FORMULA: C22H24N6O4
MOLECULAR WEIGHT: 436.46376
SMILES: CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCC(=O)C4=CC5=C(C=C4)OCCO5
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Product OPENEYE NAME: benzyl N-[(1R)-2-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]propyl]carbamate
CAS Name: N-[(2R)-3-methyl-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2R)-3-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-3-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C23H29N7O3
MOLECULAR WEIGHT: 451.52146
SMILES: CC(C)[C@H](C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)NC(=O)OCC4=CC=CC=C4
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Product OPENEYE NAME: benzyl N-[(1S)-2-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]propyl]carbamate
CAS Name: N-[(2S)-3-methyl-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2S)-3-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-3-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C23H29N7O3
MOLECULAR WEIGHT: 451.52146
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)NC(=O)OCC4=CC=CC=C4
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Product OPENEYE NAME: (4S)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CAS Name: (4S)-4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone
IUPAC NAME: (4S)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SYSTEMATIC NAME: (4S)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
MOLECULAR FORMULA: C22H22F3N7O2
MOLECULAR WEIGHT: 473.45099
SMILES: CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)[C@H]4CC(=O)N(C4)C5=CC=CC(=C5)C(F)(F)F
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Product OPENEYE NAME: (4R)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CAS Name: (4R)-4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone
IUPAC NAME: (4R)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SYSTEMATIC NAME: (4R)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
MOLECULAR FORMULA: C22H22F3N7O2
MOLECULAR WEIGHT: 473.45099
SMILES: CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)[C@@H]4CC(=O)N(C4)C5=CC=CC(=C5)C(F)(F)F
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