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

Systemtic Name: 3-[4-(2-azanylethyl)phenoxy]azepan-2-one Openeye Name: 3-[4-(2-aminoethyl)phenoxy]azepan-2-one CAS Name: 3-[4-(2-aminoethyl)phenoxy]-2-azepanone IUPAC Name: 3-[4-(2-aminoethyl)phenoxy]azepan-2-one Traditional Name: 3-[4-(2-aminoethyl)phenoxy]azepan-2-one Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c15-9-8-11-4-6-12(7-5-11)18-13-3-1-2-10-16-14(13)17/h4-7,13H,1-3,8-10,15H2,(H,16,17)