N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-1-[(3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H22ClN3O3/c1-17-12-18(2)14-21(13-17)33-16-30-11-10-24(29-30)26(32)28-23-9-8-20(27)15-22(23)25(31)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,28,32)