5-chloranyl-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: 5-chloro-N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: 5-chloro-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-N-[2-(4-ethylbenzyl)pyrazol-3-yl]coumaran-2-carboxamide Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-2-14-3-5-15(6-4-14)13-25-20(9-10-23-25)24-21(26)19-12-16-11-17(22)7-8-18(16)27-19/h3-11,19H,2,12-13H2,1H3,(H,24,26)