N-[3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]nicotinamide Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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