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

Systemtic Name: N-[(E)-[2-(3-imidazol-1-ylpropylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[2-(3-imidazol-1-ylpropylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[2-[[3-(1-imidazolyl)propylamino]-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[2-(3-imidazol-1-ylpropylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[2-(3-imidazol-1-ylpropylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]quinaldamide Formula: C26H26N6O3 MolecularWeight: 470.52304

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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)NCCCN5C=CN=C5

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=NC4=CC=CC=C4C=C3)/CCC2)C(=O)NCCCN5C=CN=C5

InChI

InChI=1S/C26H26N6O3/c1-17-23-20(30-31-25(33)21-11-10-18-6-2-3-7-19(18)29-21)8-4-9-22(23)35-24(17)26(34)28-12-5-14-32-15-13-27-16-32/h2-3,6-7,10-11,13,15-16H,4-5,8-9,12,14H2,1H3,(H,28,34)(H,31,33)/b30-20+