2-[4-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(3-oxo-1H-isobenzofuran-1-yl)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[1-oxo-2-(3-oxo-1H-isobenzofuran-1-yl)ethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: N-phenyl-2-[4-(2-phthalidylacetyl)-1,4-diazepan-1-yl]acetamide Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4/c27-21(24-17-7-2-1-3-8-17)16-25-11-6-12-26(14-13-25)22(28)15-20-18-9-4-5-10-19(18)23(29)30-20/h1-5,7-10,20H,6,11-16H2,(H,24,27)