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

Systemtic Name: N-[(E)-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[3-methyl-2-(piperonylcarbamoyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinaldamide Formula: C28H24N4O5 MolecularWeight: 496.51396

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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)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=NC4=CC=CC=C4C=C3)/CCC2)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H24N4O5/c1-16-25-20(31-32-27(33)21-11-10-18-5-2-3-6-19(18)30-21)7-4-8-23(25)37-26(16)28(34)29-14-17-9-12-22-24(13-17)36-15-35-22/h2-3,5-6,9-13H,4,7-8,14-15H2,1H3,(H,29,34)(H,32,33)/b31-20+