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

Systemtic Name: N-[(E)-[3-methyl-2-(3-methylbutylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-4-carboxamide Openeye Name: N-[(E)-[2-(isopentylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]pyridine-4-carboxamide CAS Name: N-[(E)-[3-methyl-2-[(3-methylbutylamino)-oxomethyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[3-methyl-2-(3-methylbutylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-4-carboxamide Traditional Name: N-[(E)-[2-(isoamylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]isonicotinamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC=NC=C3)CCC2)C(=O)NCCC(C)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC=NC=C3)/CCC2)C(=O)NCCC(C)C

InChI

InChI=1S/C21H26N4O3/c1-13(2)7-12-23-21(27)19-14(3)18-16(5-4-6-17(18)28-19)24-25-20(26)15-8-10-22-11-9-15/h8-11,13H,4-7,12H2,1-3H3,(H,23,27)(H,25,26)/b24-16+