2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-methylbutyl)carbamimidoyl]ethanamide

Systemtic Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-methylbutyl)carbamimidoyl]ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-isopentylcarbamimidoyl)acetamide CAS Name: 2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-N-[amino(3-methylbutylimino)methyl]acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-[N'-(3-methylbutyl)carbamimidoyl]acetamide Traditional Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-isoamylamidino)acetamide Formula: C28H38N4O MolecularWeight: 446.62752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(N)NC(=O)CN1C(=CC=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CC(C)CCN=C(N)NC(=O)CN1C(=CC=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C28H38N4O/c1-19(2)10-11-30-27(29)31-26(33)18-32-24(23-6-4-3-5-7-23)8-9-25(32)28-15-20-12-21(16-28)14-22(13-20)17-28/h3-9,19-22H,10-18H2,1-2H3,(H3,29,30,31,33)