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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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