2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)butanamide

Systemtic Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-2-(4-oxidanylidene-3H-phthalazin-1-yl)butanamide Openeye Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-2-(4-oxo-3H-phthalazin-1-yl)butanamide CAS Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-2-(4-oxo-3H-phthalazin-1-yl)butanamide IUPAC Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-2-(4-oxo-3H-phthalazin-1-yl)butanamide Traditional Name: 2-(5-amidinocoumaran-3-yl)-2-(4-keto-3H-phthalazin-1-yl)butyramide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1COC2=C1C=C(C=C2)C(=N)N)(C3=NNC(=O)C4=CC=CC=C43)C(=O)N

Isomeric SMILES

CCC(C1COC2=C1C=C(C=C2)C(=N)N)(C3=NNC(=O)C4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C21H21N5O3/c1-2-21(20(24)28,17-12-5-3-4-6-13(12)19(27)26-25-17)15-10-29-16-8-7-11(18(22)23)9-14(15)16/h3-9,15H,2,10H2,1H3,(H3,22,23)(H2,24,28)(H,26,27)