(E)-N-(1-adamantyl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(1-adamantyl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Openeye Name: (E)-N-(1-adamantyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide CAS Name: (E)-N-(1-adamantyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenamide IUPAC Name: (E)-N-(1-adamantyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enamide Traditional Name: (E)-N-(1-adamantyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylamide Formula: C22H26ClNO3 MolecularWeight: 387.89974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO3/c23-18-9-14(10-19-21(18)27-5-1-4-26-19)2-3-20(25)24-22-11-15-6-16(12-22)8-17(7-15)13-22/h2-3,9-10,15-17H,1,4-8,11-13H2,(H,24,25)/b3-2+