N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]quinoline-6-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]quinoline-6-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]quinoline-6-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-6-quinolinecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]quinoline-6-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]quinoline-6-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=C(C=C3)N=CC=C4

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC4=C(C=C3)N=CC=C4

InChI

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