6-chloranyl-N-isoquinolin-5-yl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-isoquinolin-5-yl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(5-isoquinolyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-(5-isoquinolinyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-isoquinolin-5-yl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(5-isoquinolyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C19H15ClN2O3 MolecularWeight: 354.787

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)Cl)OC1

InChI

InChI=1S/C19H15ClN2O3/c20-15-9-13(10-17-18(15)25-8-2-7-24-17)19(23)22-16-4-1-3-12-11-21-6-5-14(12)16/h1,3-6,9-11H,2,7-8H2,(H,22,23)