5-chloranyl-3,6-dimethyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-3,6-dimethyl-N-[2-(p-tolylmethyl)pyrazol-3-yl]benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[2-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-3,6-dimethyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-3,6-dimethyl-N-[2-(4-methylbenzyl)pyrazol-3-yl]coumarilamide Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=C(C4=CC(=C(C=C4O3)C)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=C(C4=CC(=C(C=C4O3)C)Cl)C

InChI

InChI=1S/C22H20ClN3O2/c1-13-4-6-16(7-5-13)12-26-20(8-9-24-26)25-22(27)21-15(3)17-11-18(23)14(2)10-19(17)28-21/h4-11H,12H2,1-3H3,(H,25,27)