3,8-bis(2-methyl-2-morpholin-4-yl-propanoyl)-11H-benzo[b][1]benzazepine-5,6-dione

Systemtic Name: 3,8-bis(2-methyl-2-morpholin-4-yl-propanoyl)-11H-benzo[b][1]benzazepine-5,6-dione Openeye Name: 3,8-bis(2-methyl-2-morpholino-propanoyl)-11H-benzo[b][1]benzazepine-5,6-dione CAS Name: 3,8-bis[2-methyl-2-(4-morpholinyl)-1-oxopropyl]-11H-benzo[b][1]benzazepine-5,6-dione IUPAC Name: 3,8-bis(2-methyl-2-morpholin-4-ylpropanoyl)-11H-benzo[b][1]benzazepine-5,6-dione Traditional Name: 3,8-bis(2-methyl-2-morpholino-propanoyl)-11H-benzo[b][1]benzazepine-5,6-quinone Formula: C30H35N3O6 MolecularWeight: 533.6154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC2=C(C=C1)NC3=C(C=C(C=C3)C(=O)C(C)(C)N4CCOCC4)C(=O)C2=O)N5CCOCC5

Isomeric SMILES

CC(C)(C(=O)C1=CC2=C(C=C1)NC3=C(C=C(C=C3)C(=O)C(C)(C)N4CCOCC4)C(=O)C2=O)N5CCOCC5

InChI

InChI=1S/C30H35N3O6/c1-29(2,32-9-13-38-14-10-32)27(36)19-5-7-23-21(17-19)25(34)26(35)22-18-20(6-8-24(22)31-23)28(37)30(3,4)33-11-15-39-16-12-33/h5-8,17-18,31H,9-16H2,1-4H3