N-isoquinolin-3-yl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: N-isoquinolin-3-yl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-(3-isoquinolyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-(3-isoquinolinyl)-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-isoquinolin-3-yl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-(3-isoquinolyl)-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)C(=O)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)C(=O)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C19H16N2O3/c22-19(15-7-3-8-16-18(15)24-10-4-9-23-16)21-17-11-13-5-1-2-6-14(13)12-20-17/h1-3,5-8,11-12H,4,9-10H2,(H,20,21,22)