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

Systemtic Name: 5-bromanyl-N-[(E)-[2-(3-imidazol-1-ylpropylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(E)-[2-(3-imidazol-1-ylpropylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(E)-[2-[[3-(1-imidazolyl)propylamino]-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(E)-[2-(3-imidazol-1-ylpropylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(E)-[2-(3-imidazol-1-ylpropylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]nicotinamide Formula: C22H23BrN6O3 MolecularWeight: 499.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C22H23BrN6O3/c1-14-19-17(27-28-21(30)15-10-16(23)12-25-11-15)4-2-5-18(19)32-20(14)22(31)26-6-3-8-29-9-7-24-13-29/h7,9-13H,2-6,8H2,1H3,(H,26,31)(H,28,30)/b27-17+