N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-(4-oxidanylidene-2,3-dihydro-1H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-(4-oxidanylidene-2,3-dihydro-1H-phthalazin-1-yl)ethanamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2-(4-oxo-2,3-dihydro-1H-phthalazin-1-yl)acetamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-2-(4-oxo-2,3-dihydro-1H-phthalazin-1-yl)acetamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-(4-oxo-2,3-dihydro-1H-phthalazin-1-yl)acetamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-2-(4-keto-2,3-dihydro-1H-phthalazin-1-yl)acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)CC3C4=CC=CC=C4C(=O)NN3

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)CC3C4=CC=CC=C4C(=O)NN3

InChI

InChI=1S/C21H23N5O3/c22-20(23)12-5-6-18-16(9-12)13(11-29-18)7-8-24-19(27)10-17-14-3-1-2-4-15(14)21(28)26-25-17/h1-6,9,13,17,25H,7-8,10-11H2,(H3,22,23)(H,24,27)(H,26,28)