[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] ester IUPAC Name: [3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl] ester Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)CC4=CNC(=O)C5=CC=CC=C54)OC1

InChI

InChI=1S/C26H21NO5/c28-25-22-8-2-1-7-21(22)19(16-27-25)13-17-5-3-6-20(14-17)32-26(29)18-9-10-23-24(15-18)31-12-4-11-30-23/h1-3,5-10,14-16H,4,11-13H2,(H,27,28)