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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CN=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CN=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H21N5O2/c22-20(23)14-3-5-18-17(11-14)16(13-28-18)7-8-24-21(27)15-4-6-19(25-12-15)26-9-1-2-10-26/h1-6,9-12,16H,7-8,13H2,(H3,22,23)(H,24,27)