3-[(2-ethyl-1-benzofuran-3-yl)methylamino]azepan-2-one

Systemtic Name: 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]azepan-2-one Openeye Name: 3-[(2-ethylbenzofuran-3-yl)methylamino]azepan-2-one CAS Name: 3-[(2-ethyl-3-benzofuranyl)methylamino]-2-azepanone IUPAC Name: 3-[(2-ethyl-1-benzofuran-3-yl)methylamino]azepan-2-one Traditional Name: 3-[(2-ethylbenzofuran-3-yl)methylamino]azepan-2-one Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CNC3CCCCNC3=O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CNC3CCCCNC3=O

InChI

InChI=1S/C17H22N2O2/c1-2-15-13(12-7-3-4-9-16(12)21-15)11-19-14-8-5-6-10-18-17(14)20/h3-4,7,9,14,19H,2,5-6,8,10-11H2,1H3,(H,18,20)