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

Systemtic Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(2-cyanoethyl)carbamimidoyl]ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(2-cyanoethyl)carbamimidoyl]acetamide CAS Name: 2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-N-[amino(2-cyanoethylimino)methyl]acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-[N'-(2-cyanoethyl)carbamimidoyl]acetamide Traditional Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(2-cyanoethyl)amidino]acetamide Formula: C26H31N5O MolecularWeight: 429.55724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(N4CC(=O)NC(=NCCC#N)N)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(N4CC(=O)NC(=NCCC#N)N)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O/c27-9-4-10-29-25(28)30-24(32)17-31-22(21-5-2-1-3-6-21)7-8-23(31)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-3,5-8,18-20H,4,10-17H2,(H3,28,29,30,32)