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

Systemtic Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-methoxypropyl)carbamimidoyl]ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-methoxypropyl)carbamimidoyl]acetamide CAS Name: 2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-N-[amino(3-methoxypropylimino)methyl]acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-[N'-(3-methoxypropyl)carbamimidoyl]acetamide Traditional Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-methoxypropyl)amidino]acetamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O2/c1-33-11-5-10-29-26(28)30-25(32)18-31-23(22-6-3-2-4-7-22)8-9-24(31)27-15-19-12-20(16-27)14-21(13-19)17-27/h2-4,6-9,19-21H,5,10-18H2,1H3,(H3,28,29,30,32)