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

Systemtic Name: N-[(E)-[3-methyl-2-(pyridin-4-ylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[3-methyl-2-(4-pyridylcarbamoyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[3-methyl-2-[oxo-(pyridin-4-ylamino)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[3-methyl-2-(pyridin-4-ylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[3-methyl-2-(4-pyridylcarbamoyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinaldamide Formula: C25H21N5O3 MolecularWeight: 439.46594

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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)NC5=CC=NC=C5

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=NC4=CC=CC=C4C=C3)/CCC2)C(=O)NC5=CC=NC=C5

InChI

InChI=1S/C25H21N5O3/c1-15-22-19(29-30-24(31)20-10-9-16-5-2-3-6-18(16)28-20)7-4-8-21(22)33-23(15)25(32)27-17-11-13-26-14-12-17/h2-3,5-6,9-14H,4,7-8H2,1H3,(H,30,31)(H,26,27,32)/b29-19+