3-[4-(ethylaminomethyl)phenoxy]azepan-2-one

Systemtic Name: 3-[4-(ethylaminomethyl)phenoxy]azepan-2-one Openeye Name: 3-[4-(ethylaminomethyl)phenoxy]azepan-2-one CAS Name: 3-[4-(ethylaminomethyl)phenoxy]-2-azepanone IUPAC Name: 3-[4-(ethylaminomethyl)phenoxy]azepan-2-one Traditional Name: 3-[4-(ethylaminomethyl)phenoxy]azepan-2-one Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=C(C=C1)OC2CCCCNC2=O

Isomeric SMILES

CCNCC1=CC=C(C=C1)OC2CCCCNC2=O

InChI

InChI=1S/C15H22N2O2/c1-2-16-11-12-6-8-13(9-7-12)19-14-5-3-4-10-17-15(14)18/h6-9,14,16H,2-5,10-11H2,1H3,(H,17,18)