N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(methoxymethyl)benzofuran-2-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-(methoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(methoxymethyl)coumarilamide Formula: C27H22FN3O3 MolecularWeight: 455.480283

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H22FN3O3/c1-33-17-23-22-9-5-6-10-24(22)34-26(23)27(32)29-15-19-16-31(21-7-3-2-4-8-21)30-25(19)18-11-13-20(28)14-12-18/h2-14,16H,15,17H2,1H3,(H,29,32)