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

Systemtic Name: N-[(E)-[3-methyl-2-(3-methylbutylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[2-(isopentylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[3-methyl-2-[(3-methylbutylamino)-oxomethyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[3-methyl-2-(3-methylbutylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[2-(isoamylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinaldamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=NC4=CC=CC=C4C=C3)CCC2)C(=O)NCCC(C)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=NC4=CC=CC=C4C=C3)/CCC2)C(=O)NCCC(C)C

InChI

InChI=1S/C25H28N4O3/c1-15(2)13-14-26-25(31)23-16(3)22-19(9-6-10-21(22)32-23)28-29-24(30)20-12-11-17-7-4-5-8-18(17)27-20/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3,(H,26,31)(H,29,30)/b28-19+