5-bromanyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]nicotinamide Formula: C16H14BrClN2O3 MolecularWeight: 397.65096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN2O3/c17-12-6-11(8-19-9-12)16(21)20-7-10-4-13(18)15-14(5-10)22-2-1-3-23-15/h4-6,8-9H,1-3,7H2,(H,20,21)