5-bromanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]nicotinamide Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C21H16BrN3O4/c22-14-9-13(11-23-12-14)20(26)25-17-4-2-1-3-16(17)21(27)24-15-5-6-18-19(10-15)29-8-7-28-18/h1-6,9-12H,7-8H2,(H,24,27)(H,25,26)