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

Systemtic Name: 2-[4-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(3-oxo-1H-isobenzofuran-1-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[1-oxo-2-(3-oxo-1H-isobenzofuran-1-yl)ethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: N-phenethyl-2-[4-(2-phthalidylacetyl)-1,4-diazepan-1-yl]acetamide Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c29-23(26-12-11-19-7-2-1-3-8-19)18-27-13-6-14-28(16-15-27)24(30)17-22-20-9-4-5-10-21(20)25(31)32-22/h1-5,7-10,22H,6,11-18H2,(H,26,29)