3-azanyl-1-[(4-hydroxyphenyl)methyl]azepan-2-one

Systemtic Name: 3-azanyl-1-[(4-hydroxyphenyl)methyl]azepan-2-one Openeye Name: 3-amino-1-[(4-hydroxyphenyl)methyl]azepan-2-one CAS Name: 3-amino-1-[(4-hydroxyphenyl)methyl]-2-azepanone IUPAC Name: 3-amino-1-[(4-hydroxyphenyl)methyl]azepan-2-one Traditional Name: 3-amino-1-(4-hydroxybenzyl)azepan-2-one Formula: C13H18N2O2 MolecularWeight: 234.29422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N)CC2=CC=C(C=C2)O

Isomeric SMILES

C1CCN(C(=O)C(C1)N)CC2=CC=C(C=C2)O

InChI

InChI=1S/C13H18N2O2/c14-12-3-1-2-8-15(13(12)17)9-10-4-6-11(16)7-5-10/h4-7,12,16H,1-3,8-9,14H2