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

Systemtic Name: 5-carbamimidoyl-3-(2,3-dihydro-1-benzofuran-3-yl)-2-ethyl-quinoline-6-carboxamide Openeye Name: 5-carbamimidoyl-3-(2,3-dihydrobenzofuran-3-yl)-2-ethyl-quinoline-6-carboxamide CAS Name: 5-carbamimidoyl-3-(2,3-dihydrobenzofuran-3-yl)-2-ethyl-6-quinolinecarboxamide IUPAC Name: 5-carbamimidoyl-3-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylquinoline-6-carboxamide Traditional Name: 5-amidino-3-coumaran-3-yl-2-ethyl-quinoline-6-carboxamide Formula: C21H20N4O2 MolecularWeight: 360.4091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=N1)C=CC(=C2C(=N)N)C(=O)N)C3COC4=CC=CC=C34

Isomeric SMILES

CCC1=C(C=C2C(=N1)C=CC(=C2C(=N)N)C(=O)N)C3COC4=CC=CC=C34

InChI

InChI=1S/C21H20N4O2/c1-2-16-13(15-10-27-18-6-4-3-5-11(15)18)9-14-17(25-16)8-7-12(21(24)26)19(14)20(22)23/h3-9,15H,2,10H2,1H3,(H3,22,23)(H2,24,26)