5-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide CAS Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nicotinamide Formula: C15H13BrN2O3 MolecularWeight: 349.17932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O3/c16-11-6-10(8-17-9-11)15(19)18-12-2-3-13-14(7-12)21-5-1-4-20-13/h2-3,6-9H,1,4-5H2,(H,18,19)