N-[2-(azepan-1-ylcarbonyl)-1-benzofuran-3-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-1-benzofuran-3-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)benzofuran-3-yl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-3-benzofuranyl]-5-(4-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)benzofuran-3-yl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N5CCCCCC5

InChI

InChI=1S/C26H25N3O5/c1-32-18-12-10-17(11-13-18)22-16-20(28-34-22)25(30)27-23-19-8-4-5-9-21(19)33-24(23)26(31)29-14-6-2-3-7-15-29/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,27,30)