3-[3-[(cyclopropylamino)methyl]phenoxy]azepan-2-one

Systemtic Name: 3-[3-[(cyclopropylamino)methyl]phenoxy]azepan-2-one Openeye Name: 3-[3-[(cyclopropylamino)methyl]phenoxy]azepan-2-one CAS Name: 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-azepanone IUPAC Name: 3-[3-[(cyclopropylamino)methyl]phenoxy]azepan-2-one Traditional Name: 3-[3-[(cyclopropylamino)methyl]phenoxy]azepan-2-one Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=CC(=C2)CNC3CC3

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=CC=CC(=C2)CNC3CC3

InChI

InChI=1S/C16H22N2O2/c19-16-15(6-1-2-9-17-16)20-14-5-3-4-12(10-14)11-18-13-7-8-13/h3-5,10,13,15,18H,1-2,6-9,11H2,(H,17,19)