6-(3-bromanylphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide

Systemtic Name: 6-(3-bromanylphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide Openeye Name: 6-(3-bromophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide CAS Name: 6-(3-bromophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyridinecarboxamide IUPAC Name: 6-(3-bromophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide Traditional Name: 6-(3-bromophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nicotinamide Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CN=C(C=C3)OC4=CC(=CC=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CN=C(C=C3)OC4=CC(=CC=C4)Br)OC1

InChI

InChI=1S/C21H17BrN2O4/c22-15-3-1-4-17(11-15)28-20-8-5-14(13-23-20)21(25)24-16-6-7-18-19(12-16)27-10-2-9-26-18/h1,3-8,11-13H,2,9-10H2,(H,24,25)