3-(1,3-benzodioxol-4-ylmethylamino)azepan-2-one

Systemtic Name: 3-(1,3-benzodioxol-4-ylmethylamino)azepan-2-one Openeye Name: 3-(1,3-benzodioxol-4-ylmethylamino)azepan-2-one CAS Name: 3-(1,3-benzodioxol-4-ylmethylamino)-2-azepanone IUPAC Name: 3-(1,3-benzodioxol-4-ylmethylamino)azepan-2-one Traditional Name: 3-(1,3-benzodioxol-4-ylmethylamino)azepan-2-one Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=C3C(=CC=C2)OCO3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=C3C(=CC=C2)OCO3

InChI

InChI=1S/C14H18N2O3/c17-14-11(5-1-2-7-15-14)16-8-10-4-3-6-12-13(10)19-9-18-12/h3-4,6,11,16H,1-2,5,7-9H2,(H,15,17)