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

Systemtic Name: 3-[4-(propylaminomethyl)phenoxy]azepan-2-one Openeye Name: 3-[4-(propylaminomethyl)phenoxy]azepan-2-one CAS Name: 3-[4-(propylaminomethyl)phenoxy]-2-azepanone IUPAC Name: 3-[4-(propylaminomethyl)phenoxy]azepan-2-one Traditional Name: 3-[4-(propylaminomethyl)phenoxy]azepan-2-one Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC=C(C=C1)OC2CCCCNC2=O

Isomeric SMILES

CCCNCC1=CC=C(C=C1)OC2CCCCNC2=O

InChI

InChI=1S/C16H24N2O2/c1-2-10-17-12-13-6-8-14(9-7-13)20-15-5-3-4-11-18-16(15)19/h6-9,15,17H,2-5,10-12H2,1H3,(H,18,19)