ethyl 3-[[4-[5-(4-chloranyl-3-oxidanyl-phenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 3-[[4-[5-(4-chloranyl-3-oxidanyl-phenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 3-[[4-[5-(4-chloro-3-hydroxy-phenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-[5-(4-chloro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[5-(4-chloro-3-hydroxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-[5-(4-chloro-3-hydroxy-phenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C22H18ClN5O3 MolecularWeight: 435.86302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC(=C(C=C4)Cl)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC(=C(C=C4)Cl)O

InChI

InChI=1S/C22H18ClN5O3/c1-2-31-21(30)14-4-3-5-15(10-14)26-22-24-9-8-18(27-22)16-12-25-28-20(16)13-6-7-17(23)19(29)11-13/h3-12,29H,2H2,1H3,(H,25,28)(H,24,26,27)