4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-oxo-2-(p-tolyl)ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(4-methylphenyl)-2-oxoethyl]-2-propyl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(4-methylphenyl)-2-oxoethyl]-2-propyl-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-keto-2-(p-tolyl)ethyl]-2-propyl-1,4-benzoxazepine-3,5-quinone Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO4/c1-3-6-19-21(25)22(13-17(23)15-11-9-14(2)10-12-15)20(24)16-7-4-5-8-18(16)26-19/h4-5,7-12,19H,3,6,13H2,1-2H3