N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-pyridazin-3-yl-benzamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-pyridazin-3-yl-benzamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-pyridazin-3-yl-benzamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-(3-pyridazinyl)benzamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-pyridazin-3-ylbenzamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-pyridazin-3-yl-benzamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c23-21(24)16-7-8-20-18(12-16)17(13-29-20)9-11-25-22(28)15-5-3-14(4-6-15)19-2-1-10-26-27-19/h1-8,10,12,17H,9,11,13H2,(H3,23,24)(H,25,28)