N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]quinoline-3-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]quinoline-3-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]quinoline-3-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-3-quinolinecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]quinoline-3-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]quinoline-3-carboxamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H20N4O2/c22-20(23)14-5-6-19-17(10-14)15(12-27-19)7-8-24-21(26)16-9-13-3-1-2-4-18(13)25-11-16/h1-6,9-11,15H,7-8,12H2,(H3,22,23)(H,24,26)