1-[2-(aminomethyl)phenyl]azepane-2,7-dione

Systemtic Name: 1-[2-(aminomethyl)phenyl]azepane-2,7-dione Openeye Name: 1-[2-(aminomethyl)phenyl]azepane-2,7-dione CAS Name: 1-[2-(aminomethyl)phenyl]azepane-2,7-dione IUPAC Name: 1-[2-(aminomethyl)phenyl]azepane-2,7-dione Traditional Name: 1-[2-(aminomethyl)phenyl]azepane-2,7-quinone Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C2=CC=CC=C2CN

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C2=CC=CC=C2CN

InChI

InChI=1S/C13H16N2O2/c14-9-10-5-1-2-6-11(10)15-12(16)7-3-4-8-13(15)17/h1-2,5-6H,3-4,7-9,14H2