(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-pyridin-4-yl-methanone

Systemtic Name: (7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-pyridin-4-yl-methanone Openeye Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-pyridyl)methanone CAS Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-pyridin-4-ylmethanone IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-pyridin-4-ylmethanone Traditional Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-pyridyl)methanone Formula: C15H12BrNO3 MolecularWeight: 334.16468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)C3=CC=NC=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)C3=CC=NC=C3)Br)OC1

InChI

InChI=1S/C15H12BrNO3/c16-12-9-14-13(19-6-1-7-20-14)8-11(12)15(18)10-2-4-17-5-3-10/h2-5,8-9H,1,6-7H2