3-(2-methyl-2-morpholin-4-yl-propanoyl)benzo[b][1]benzoxepine-5,6-dione

Systemtic Name: 3-(2-methyl-2-morpholin-4-yl-propanoyl)benzo[b][1]benzoxepine-5,6-dione Openeye Name: 3-(2-methyl-2-morpholino-propanoyl)benzo[b][1]benzoxepine-5,6-dione CAS Name: 3-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]benzo[b][1]benzoxepin-5,6-dione IUPAC Name: 3-(2-methyl-2-morpholin-4-ylpropanoyl)benzo[b][1]benzoxepine-5,6-dione Traditional Name: 3-(2-methyl-2-morpholino-propanoyl)benzo[b][1]benzoxepin-5,6-quinone Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C(=O)C2=O)N4CCOCC4

Isomeric SMILES

CC(C)(C(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C(=O)C2=O)N4CCOCC4

InChI

InChI=1S/C22H21NO5/c1-22(2,23-9-11-27-12-10-23)21(26)14-7-8-18-16(13-14)20(25)19(24)15-5-3-4-6-17(15)28-18/h3-8,13H,9-12H2,1-2H3