2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-propylcarbamimidoyl)ethanamide

Systemtic Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-propylcarbamimidoyl)ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-propylcarbamimidoyl)acetamide CAS Name: 2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-N-[amino(propylimino)methyl]acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-(N'-propylcarbamimidoyl)acetamide Traditional Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-propylamidino)acetamide Formula: C26H34N4O MolecularWeight: 418.57436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O/c1-2-10-28-25(27)29-24(31)17-30-22(21-6-4-3-5-7-21)8-9-23(30)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-9,18-20H,2,10-17H2,1H3,(H3,27,28,29,31)