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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2COC3=C2C=C(C=C3)C(=N)N)C(=O)N)C4=NN=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1C2COC3=C2C=C(C=C3)C(=N)N)C(=O)N)C4=NN=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-2-13-14(18-4-3-9-26-27-18)6-7-15(22(25)28)20(13)17-11-29-19-8-5-12(21(23)24)10-16(17)19/h3-10,17H,2,11H2,1H3,(H3,23,24)(H2,25,28)