2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-4-ethyl-6-pyrrol-1-yl-pyridine-3-carboxamide

Systemtic Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-4-ethyl-6-pyrrol-1-yl-pyridine-3-carboxamide Openeye Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-4-ethyl-6-pyrrol-1-yl-pyridine-3-carboxamide CAS Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-4-ethyl-6-(1-pyrrolyl)-3-pyridinecarboxamide IUPAC Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-4-ethyl-6-pyrrol-1-ylpyridine-3-carboxamide Traditional Name: 2-(5-amidinocoumaran-3-yl)-4-ethyl-6-pyrrol-1-yl-nicotinamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=C1C(=O)N)C2COC3=C2C=C(C=C3)C(=N)N)N4C=CC=C4

Isomeric SMILES

CCC1=CC(=NC(=C1C(=O)N)C2COC3=C2C=C(C=C3)C(=N)N)N4C=CC=C4

InChI

InChI=1S/C21H21N5O2/c1-2-12-10-17(26-7-3-4-8-26)25-19(18(12)21(24)27)15-11-28-16-6-5-13(20(22)23)9-14(15)16/h3-10,15H,2,11H2,1H3,(H3,22,23)(H2,24,27)