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

Systemtic Name: 5-chloranyl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-5-chloro-2,3-dihydrobenzofuran-2-carboxamide CAS Name: 5-chloro-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-5-chloro-coumaran-2-carboxamide Formula: C26H22ClN3O2 MolecularWeight: 443.92478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H22ClN3O2/c27-22-11-12-23-20(13-22)14-24(32-23)26(31)28-15-21-17-30(16-18-7-3-1-4-8-18)29-25(21)19-9-5-2-6-10-19/h1-13,17,24H,14-16H2,(H,28,31)