azepan-2-one; 3,4-bis(azanyl)-3,4-diethanoyl-hexane-2,5-dione

Systemtic Name: azepan-2-one; 3,4-bis(azanyl)-3,4-diethanoyl-hexane-2,5-dione Openeye Name: azepan-2-one; 3,4-diacetyl-3,4-diamino-hexane-2,5-dione CAS Name: 2-azepanone; 3,4-diacetyl-3,4-diaminohexane-2,5-dione IUPAC Name: azepan-2-one; 3,4-diacetyl-3,4-diaminohexane-2,5-dione Traditional Name: azepan-2-one; 3,4-diacetyl-3,4-diamino-hexane-2,5-dione Formula: C16H27N3O5 MolecularWeight: 341.40268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)(C(C(=O)C)(C(=O)C)N)N.C1CCC(=O)NCC1

Isomeric SMILES

CC(=O)C(C(=O)C)(C(C(=O)C)(C(=O)C)N)N.C1CCC(=O)NCC1

InChI

InChI=1S/C10H16N2O4.C6H11NO/c1-5(13)9(11,6(2)14)10(12,7(3)15)8(4)16;8-6-4-2-1-3-5-7-6/h11-12H2,1-4H3;1-5H2,(H,7,8)