N-[(4-carbamimidoylphenyl)methyl]-2-[3-oxidanylidene-4-(phenethylamino)morpholin-2-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-oxidanylidene-4-(phenethylamino)morpholin-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-oxo-4-(phenethylamino)morpholin-2-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-oxo-4-(phenethylamino)-2-morpholinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-oxo-4-(phenethylamino)morpholin-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-keto-4-(phenethylamino)morpholin-2-yl]acetamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(=O)N1NCCC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1COC(C(=O)N1NCCC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N5O3/c23-21(24)18-8-6-17(7-9-18)15-25-20(28)14-19-22(29)27(12-13-30-19)26-11-10-16-4-2-1-3-5-16/h1-9,19,26H,10-15H2,(H3,23,24)(H,25,28)