N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxidanylidene-3-(pyridin-3-ylamino)pyridin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxidanylidene-3-(pyridin-3-ylamino)pyridin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxo-3-(3-pyridylamino)-1-pyridyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxo-3-(3-pyridinylamino)-1-pyridinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[2-oxo-3-(pyridin-3-ylamino)pyridin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-ethoxy-2-[2-keto-3-(3-pyridylamino)-1-pyridyl]acetamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=CC=C(C2=O)NC3=CN=CC=C3

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=CC=C(C2=O)NC3=CN=CC=C3

InChI

InChI=1S/C22H24N6O3/c1-2-31-22(20(29)26-13-15-7-9-16(10-8-15)19(23)24)28-12-4-6-18(21(28)30)27-17-5-3-11-25-14-17/h3-12,14,22,27H,2,13H2,1H3,(H3,23,24)(H,26,29)