Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (6Z)-6-[[2-(7-methyl-5-phenyl-pyrazolo[3,4-e][1,2,4]triazin-3-yl)hydrazino]methylene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[[(7-methyl-5-phenyl-3-pyrazolo[3,4-e][1,2,4]triazinyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[[2-(7-methyl-5-phenylpyrazolo[3,4-e][1,2,4]triazin-3-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[2-(7-methyl-5-phenyl-pyrazolo[3,4-e][1,2,4]triazin-3-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H15N7O
MOLECULAR WEIGHT: 345.358
SMILES: CC1=NN(C2=C1N=NC(=N2)NN/C=C\3/C=CC=CC3=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(8R,9S,10R,13S,14S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(8R,9S,10R,13S,14S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-17-acetamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C23H35NO3
MOLECULAR WEIGHT: 373.5289
SMILES: CC(=O)N[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)C)C)C
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Product OPENEYE NAME: N-[(8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetamide
CAS Name: N-[(8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetamide
IUPAC NAME: N-[(8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetamide
SYSTEMATIC NAME: N-[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanamide
MOLECULAR FORMULA: C21H33NO2
MOLECULAR WEIGHT: 331.49222
SMILES: CC(=O)N[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C
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Product OPENEYE NAME: N-[(3Z,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetamide
CAS Name: N-[(3Z,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetamide
IUPAC NAME: N-[(3Z,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetamide
SYSTEMATIC NAME: N-[(3Z,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanamide
MOLECULAR FORMULA: C21H32N2O2
MOLECULAR WEIGHT: 344.49098
SMILES: CC(=O)N[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\O)/CC[C@]34C)C
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Product OPENEYE NAME: N-[(3E,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetamide
CAS Name: N-[(3E,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetamide
IUPAC NAME: N-[(3E,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetamide
SYSTEMATIC NAME: N-[(3E,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanamide
MOLECULAR FORMULA: C21H32N2O2
MOLECULAR WEIGHT: 344.49098
SMILES: CC(=O)N[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/O)/CC[C@]34C)C
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Product OPENEYE NAME: benzofuran-2-yl(phenyl)methanone hydrazone
CAS Name: 2-benzofuranyl(phenyl)methanone hydrazone
IUPAC NAME: (Z)-[1-benzofuran-2-yl(phenyl)methylidene]hydrazine
SYSTEMATIC NAME: (Z)-[1-benzofuran-2-yl(phenyl)methylidene]diazane
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: C1=CC=C(C=C1)/C(=N/N)/C2=CC3=CC=CC=C3O2
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Product OPENEYE NAME: (NZ)-N-[(2Z)-2-(1-hydrazinoethylidene)benzofuran-3-ylidene]-4-methyl-benzenesulfonamide
CAS Name: (NZ)-N-[(2Z)-2-(1-hydrazinylethylidene)-3-benzofuranylidene]-4-methylbenzenesulfonamide
IUPAC NAME: (NZ)-N-[(2Z)-2-(1-hydrazinylethylidene)-1-benzofuran-3-ylidene]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: (NZ)-N-[(2Z)-2-(1-diazanylethylidene)-1-benzofuran-3-ylidene]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C17H17N3O3S
MOLECULAR WEIGHT: 343.40018
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C3=CC=CC=C3O/C2=C(/C)\NN
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Product OPENEYE NAME: (NE)-N-[(2Z)-2-[hydrazino(phenyl)methylene]benzofuran-3-ylidene]-4-methyl-benzenesulfonamide
CAS Name: (NE)-N-[(2Z)-2-[hydrazinyl(phenyl)methylidene]-3-benzofuranylidene]-4-methylbenzenesulfonamide
IUPAC NAME: (NE)-N-[(2Z)-2-[hydrazinyl(phenyl)methylidene]-1-benzofuran-3-ylidene]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: (NE)-N-[(2Z)-2-[diazanyl(phenyl)methylidene]-1-benzofuran-3-ylidene]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C22H19N3O3S
MOLECULAR WEIGHT: 405.46956
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C3=CC=CC=C3O\C2=C(\C4=CC=CC=C4)/NN
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Product OPENEYE NAME: (NZ)-4-methyl-N-[(2Z)-2-[1-(2-methylhydrazino)ethylidene]benzofuran-3-ylidene]benzenesulfonamide
CAS Name: (NZ)-4-methyl-N-[(2Z)-2-[1-(methylhydrazo)ethylidene]-3-benzofuranylidene]benzenesulfonamide
IUPAC NAME: (NZ)-4-methyl-N-[(2Z)-2-[1-(2-methylhydrazinyl)ethylidene]-1-benzofuran-3-ylidene]benzenesulfonamide
SYSTEMATIC NAME: (NZ)-4-methyl-N-[(2Z)-2-[1-(2-methylhydrazinyl)ethylidene]-1-benzofuran-3-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C18H19N3O3S
MOLECULAR WEIGHT: 357.42676
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C3=CC=CC=C3O/C2=C(/C)\NNC
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Product OPENEYE NAME: (NE)-4-methyl-N-[(2Z)-2-[(2-methylhydrazino)-phenyl-methylene]benzofuran-3-ylidene]benzenesulfonamide
CAS Name: (NE)-4-methyl-N-[(2Z)-2-[(methylhydrazo)-phenylmethylidene]-3-benzofuranylidene]benzenesulfonamide
IUPAC NAME: (NE)-4-methyl-N-[(2Z)-2-[(2-methylhydrazinyl)-phenylmethylidene]-1-benzofuran-3-ylidene]benzenesulfonamide
SYSTEMATIC NAME: (NE)-4-methyl-N-[(2Z)-2-[(2-methylhydrazinyl)-phenyl-methylidene]-1-benzofuran-3-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C23H21N3O3S
MOLECULAR WEIGHT: 419.49614
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C3=CC=CC=C3O\C2=C(\C4=CC=CC=C4)/NNC
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Product OPENEYE NAME: (NZ)-N-[(2Z)-2-[1-(2,2-dimethylhydrazino)ethylidene]benzofuran-3-ylidene]-4-methyl-benzenesulfonamide
CAS Name: (NZ)-N-[(2Z)-2-[1-(2,2-dimethylhydrazinyl)ethylidene]-3-benzofuranylidene]-4-methylbenzenesulfonamide
IUPAC NAME: (NZ)-N-[(2Z)-2-[1-(2,2-dimethylhydrazinyl)ethylidene]-1-benzofuran-3-ylidene]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: (NZ)-N-[(2Z)-2-[1-(2,2-dimethylhydrazinyl)ethylidene]-1-benzofuran-3-ylidene]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C19H21N3O3S
MOLECULAR WEIGHT: 371.45334
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C3=CC=CC=C3O/C2=C(/C)\NN(C)C
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Product OPENEYE NAME: (NE)-N-[(2Z)-2-[(2,2-dimethylhydrazino)-phenyl-methylene]benzofuran-3-ylidene]-4-methyl-benzenesulfonamide
CAS Name: (NE)-N-[(2Z)-2-[(2,2-dimethylhydrazinyl)-phenylmethylidene]-3-benzofuranylidene]-4-methylbenzenesulfonamide
IUPAC NAME: (NE)-N-[(2Z)-2-[(2,2-dimethylhydrazinyl)-phenylmethylidene]-1-benzofuran-3-ylidene]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: (NE)-N-[(2Z)-2-[(2,2-dimethylhydrazinyl)-phenyl-methylidene]-1-benzofuran-3-ylidene]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C24H23N3O3S
MOLECULAR WEIGHT: 433.52272
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C3=CC=CC=C3O\C2=C(\C4=CC=CC=C4)/NN(C)C
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Product OPENEYE NAME: (NE)-4-methyl-N-[(2Z)-2-[1-[2-[(1E)-1-[(3E)-3-(p-tolylsulfonylimino)benzofuran-2-ylidene]ethyl]hydrazino]ethylidene]benzofuran-3-ylidene]benzenesulfonamide
CAS Name: (NE)-4-methyl-N-[(2Z)-2-[1-[[(1E)-1-[(3E)-3-(4-methylphenyl)sulfonylimino-2-benzofuranylidene]ethyl]hydrazo]ethylidene]-3-benzofuranylidene]benzenesulfonamide
IUPAC NAME: (NE)-4-methyl-N-[(2Z)-2-[1-[2-[(1E)-1-[(3E)-3-(4-methylphenyl)sulfonylimino-1-benzofuran-2-ylidene]ethyl]hydrazinyl]ethylidene]-1-benzofuran-3-ylidene]benzenesulfonamide
SYSTEMATIC NAME: (NE)-4-methyl-N-[(2Z)-2-[1-[2-[(1E)-1-[(3E)-3-(4-methylphenyl)sulfonylimino-1-benzofuran-2-ylidene]ethyl]hydrazinyl]ethylidene]-1-benzofuran-3-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C34H30N4O6S2
MOLECULAR WEIGHT: 654.7552
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C3=CC=CC=C3O\C2=C(/C)\NN/C(=C\4/C(=N/S(=O)(=O)C5=CC=C(C=C5)C)/C6=CC=CC=C6O4)/C
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Product OPENEYE NAME: (NE)-4-methyl-N-[(2Z)-2-[phenyl-[2-[(Z)-phenyl-[(3E)-3-(p-tolylsulfonylimino)benzofuran-2-ylidene]methyl]hydrazino]methylene]benzofuran-3-ylidene]benzenesulfonamide
CAS Name: (NE)-4-methyl-N-[(2Z)-2-[[[(Z)-[(3E)-3-(4-methylphenyl)sulfonylimino-2-benzofuranylidene]-phenylmethyl]hydrazo]-phenylmethylidene]-3-benzofuranylidene]benzenesulfonamide
IUPAC NAME: (NE)-4-methyl-N-[(2Z)-2-[[2-[(Z)-[(3E)-3-(4-methylphenyl)sulfonylimino-1-benzofuran-2-ylidene]-phenylmethyl]hydrazinyl]-phenylmethylidene]-1-benzofuran-3-ylidene]benzenesulfonamide
SYSTEMATIC NAME: (NE)-4-methyl-N-[(2Z)-2-[[2-[(Z)-[(3E)-3-(4-methylphenyl)sulfonylimino-1-benzofuran-2-ylidene]-phenyl-methyl]hydrazinyl]-phenyl-methylidene]-1-benzofuran-3-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C44H34N4O6S2
MOLECULAR WEIGHT: 778.89396
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=C(/NN/C(=C/3\OC4=CC=CC=C4\C3=N/S(=O)(=O)C5=CC=C(C=C5)C)/C6=CC=CC=C6)\C7=CC=CC=C7)/OC8=CC=CC=C28
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Product OPENEYE NAME: 1-(benzofuran-2-yl)-N-[(Z)-[benzofuran-2-yl(phenyl)methylene]amino]-1-phenyl-methanimine
CAS Name: 1-(2-benzofuranyl)-N-[(Z)-[2-benzofuranyl(phenyl)methylidene]amino]-1-phenylmethanimine
IUPAC NAME: 1-(1-benzofuran-2-yl)-N-[(Z)-[1-benzofuran-2-yl(phenyl)methylidene]amino]-1-phenylmethanimine
SYSTEMATIC NAME: 1-(1-benzofuran-2-yl)-N-[(Z)-[1-benzofuran-2-yl(phenyl)methylidene]amino]-1-phenyl-methanimine
MOLECULAR FORMULA: C30H20N2O2
MOLECULAR WEIGHT: 440.492
SMILES: C1=CC=C(C=C1)/C(=N\N=C(\C2=CC=CC=C2)/C3=CC4=CC=CC=C4O3)/C5=CC6=CC=CC=C6O5
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Product OPENEYE NAME: 3-bromo-7-methyl-2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-5-one
CAS Name: 3-bromo-7-methyl-2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-5-one
IUPAC NAME: 3-bromo-7-methyl-2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-5-one
SYSTEMATIC NAME: 3-bromanyl-7-methyl-2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-5-one
MOLECULAR FORMULA: C13H12BrN3O
MOLECULAR WEIGHT: 306.15788
SMILES: CC1=CC(=O)NC2N1N=C(C2Br)C3=CC=CC=C3
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Product OPENEYE NAME: 3-bromo-5-methyl-2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-one
CAS Name: 3-bromo-5-methyl-2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-one
IUPAC NAME: 3-bromo-5-methyl-2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 3-bromanyl-5-methyl-2-phenyl-3a,4-dihydro-3H-pyrazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C13H12BrN3O
MOLECULAR WEIGHT: 306.15788
SMILES: CC1=CC(=O)N2C(N1)C(C(=N2)C3=CC=CC=C3)Br
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Product OPENEYE NAME: 3,5,6-triphenyl-2,5-dihydropyrazolo[4,3-b][1,4]oxazine
CAS Name: 3,5,6-triphenyl-2,5-dihydropyrazolo[4,3-b][1,4]oxazine
IUPAC NAME: 3,5,6-triphenyl-2,5-dihydropyrazolo[4,3-b][1,4]oxazine
SYSTEMATIC NAME: 3,5,6-triphenyl-2,5-dihydropyrazolo[4,3-b][1,4]oxazine
MOLECULAR FORMULA: C23H17N3O
MOLECULAR WEIGHT: 351.40058
SMILES: C1=CC=C(C=C1)C2C(=NC3=NNC(=C3O2)C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 5,6-bis(4-methoxyphenyl)-3-phenyl-2,5-dihydropyrazolo[4,3-b][1,4]oxazine
CAS Name: 5,6-bis(4-methoxyphenyl)-3-phenyl-2,5-dihydropyrazolo[4,3-b][1,4]oxazine
IUPAC NAME: 5,6-bis(4-methoxyphenyl)-3-phenyl-2,5-dihydropyrazolo[4,3-b][1,4]oxazine
SYSTEMATIC NAME: 5,6-bis(4-methoxyphenyl)-3-phenyl-2,5-dihydropyrazolo[4,3-b][1,4]oxazine
MOLECULAR FORMULA: C25H21N3O3
MOLECULAR WEIGHT: 411.45254
SMILES: COC1=CC=C(C=C1)C2C(=NC3=NNC(=C3O2)C4=CC=CC=C4)C5=CC=C(C=C5)OC
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Product OPENEYE NAME: 5-amino-3-phenyl-4,5-dihydro-1H-pyrazole-4-thiol
CAS Name: 5-amino-3-phenyl-4,5-dihydro-1H-pyrazole-4-thiol
IUPAC NAME: 5-amino-3-phenyl-4,5-dihydro-1H-pyrazole-4-thiol
SYSTEMATIC NAME: 5-azanyl-3-phenyl-4,5-dihydro-1H-pyrazole-4-thiol
MOLECULAR FORMULA: C9H11N3S
MOLECULAR WEIGHT: 193.26874
SMILES: C1=CC=C(C=C1)C2=NNC(C2S)N
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Product OPENEYE NAME: N-[2-methyl-4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]-5-phenyl-pyrazol-3-yl]benzamide
CAS Name: N-[2-methyl-4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-5-phenyl-3-pyrazolyl]benzamide
IUPAC NAME: N-[2-methyl-4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-5-phenylpyrazol-3-yl]benzamide
SYSTEMATIC NAME: N-[2-methyl-4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]-5-phenyl-pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C27H21N5O2
MOLECULAR WEIGHT: 447.48794
SMILES: CN1C(=C(C(=N1)C2=CC=CC=C2)N/N=C\3/C(=O)C=CC4=CC=CC=C43)NC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: ethyl (2Z)-2-[(5-benzamido-1-methyl-3-phenyl-pyrazol-4-yl)hydrazono]-2-cyano-acetate
CAS Name: (2Z)-2-[(5-benzamido-1-methyl-3-phenyl-4-pyrazolyl)hydrazinylidene]-2-cyanoacetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-[(5-benzamido-1-methyl-3-phenylpyrazol-4-yl)hydrazinylidene]-2-cyanoacetate
SYSTEMATIC NAME: ethyl (2Z)-2-[(5-benzamido-1-methyl-3-phenyl-pyrazol-4-yl)hydrazinylidene]-2-cyano-ethanoate
MOLECULAR FORMULA: C22H20N6O3
MOLECULAR WEIGHT: 416.4326
SMILES: CCOC(=O)/C(=N\NC1=C(N(N=C1C2=CC=CC=C2)C)NC(=O)C3=CC=CC=C3)/C#N
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