N-(1-adamantyl)-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-(1-adamantyl)-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-(1-adamantyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-(1-adamantyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-(1-adamantyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-(1-adamantyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)Cl)OC1

InChI

InChI=1S/C20H24ClNO3/c21-16-7-15(8-17-18(16)25-3-1-2-24-17)19(23)22-20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,1-6,9-11H2,(H,22,23)