5-bromanyl-N-[(E)-[3-methyl-2-(pyridin-3-ylmethylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(E)-[3-methyl-2-(pyridin-3-ylmethylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(E)-[3-methyl-2-(3-pyridylmethylcarbamoyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(E)-[3-methyl-2-[oxo-(3-pyridinylmethylamino)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(E)-[3-methyl-2-(pyridin-3-ylmethylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(E)-[3-methyl-2-(3-pyridylmethylcarbamoyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]nicotinamide Formula: C22H20BrN5O3 MolecularWeight: 482.3299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H20BrN5O3/c1-13-19-17(27-28-21(29)15-8-16(23)12-25-11-15)5-2-6-18(19)31-20(13)22(30)26-10-14-4-3-7-24-9-14/h3-4,7-9,11-12H,2,5-6,10H2,1H3,(H,26,30)(H,28,29)/b27-17+