N-(5-chloranyl-2-oxidanyl-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-oxidanyl-phenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-chloro-2-hydroxy-phenyl)-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-chloro-2-hydroxyphenyl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-chloro-2-hydroxyphenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-chloro-2-hydroxy-phenyl)-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C20H20ClN3O3/c1-13(2)14-3-6-16(7-4-14)27-12-24-10-9-17(23-24)20(26)22-18-11-15(21)5-8-19(18)25/h3-11,13,25H,12H2,1-2H3,(H,22,26)