4-[3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-1-phenyl-propyl]-3,4-dihydro-1H-1-benzazepine-2,5-dione

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-1-phenyl-propyl]-3,4-dihydro-1H-1-benzazepine-2,5-dione Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-3-oxo-1-phenyl-propyl]-3,4-dihydro-1H-1-benzazepine-2,5-dione CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-3-oxo-1-phenylpropyl]-3,4-dihydro-1H-1-benzazepine-2,5-dione IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-3-oxo-1-phenylpropyl]-3,4-dihydro-1H-1-benzazepine-2,5-dione Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-3-keto-1-phenyl-propyl]-3,4-dihydro-1H-1-benzazepine-2,5-quinone Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C2NC1=O)C(CC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C2NC1=O)C(CC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H21NO5/c28-22(17-10-11-23-24(12-17)32-15-31-23)13-19(16-6-2-1-3-7-16)20-14-25(29)27-21-9-5-4-8-18(21)26(20)30/h1-12,19-20H,13-15H2,(H,27,29)