2-[(1E,3E,5E)-6-(5-carbamimidoyl-1-benzofuran-2-yl)hexa-1,3,5-trienyl]quinoline-6-carboximidamide

Systemtic Name: 2-[(1E,3E,5E)-6-(5-carbamimidoyl-1-benzofuran-2-yl)hexa-1,3,5-trienyl]quinoline-6-carboximidamide Openeye Name: 2-[(1E,3E,5E)-6-(5-carbamimidoylbenzofuran-2-yl)hexa-1,3,5-trienyl]quinoline-6-carboxamidine CAS Name: 2-[(1E,3E,5E)-6-(5-carbamimidoyl-2-benzofuranyl)hexa-1,3,5-trienyl]-6-quinolinecarboximidamide IUPAC Name: 2-[(1E,3E,5E)-6-(5-carbamimidoyl-1-benzofuran-2-yl)hexa-1,3,5-trienyl]quinoline-6-carboximidamide Traditional Name: 2-[(1E,3E,5E)-6-(5-amidinobenzofuran-2-yl)hexa-1,3,5-trienyl]quinoline-6-carboxamidine Formula: C25H21N5O MolecularWeight: 407.46714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=N2)C=CC=CC=CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C=C1C(=N)N

Isomeric SMILES

C1=CC2=C(C=CC(=N2)/C=C/C=C/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N)C=C1C(=N)N

InChI

InChI=1S/C25H21N5O/c26-24(27)17-8-11-22-16(13-17)7-10-20(30-22)5-3-1-2-4-6-21-15-19-14-18(25(28)29)9-12-23(19)31-21/h1-15H,(H3,26,27)(H3,28,29)/b2-1+,5-3+,6-4+