N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-(1H-pyrrol-2-yl)benzamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-(1H-pyrrol-2-yl)benzamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2-(1H-pyrrol-2-yl)benzamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2-(1H-pyrrol-2-yl)benzamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-(1H-pyrrol-2-yl)benzamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-2-(1H-pyrrol-2-yl)benzamide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC=CC=C3C4=CC=CN4

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC=CC=C3C4=CC=CN4

InChI

InChI=1S/C22H22N4O2/c23-21(24)14-7-8-20-18(12-14)15(13-28-20)9-11-26-22(27)17-5-2-1-4-16(17)19-6-3-10-25-19/h1-8,10,12,15,25H,9,11,13H2,(H3,23,24)(H,26,27)