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

Systemtic Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-cyanopropyl)carbamimidoyl]ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-cyanopropyl)carbamimidoyl]acetamide CAS Name: 2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-N-[amino(3-cyanopropylimino)methyl]acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-[N'-(3-cyanopropyl)carbamimidoyl]acetamide Traditional Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-[N'-(3-cyanopropyl)amidino]acetamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O/c28-10-4-5-11-30-26(29)31-25(33)18-32-23(22-6-2-1-3-7-22)8-9-24(32)27-15-19-12-20(16-27)14-21(13-19)17-27/h1-3,6-9,19-21H,4-5,11-18H2,(H3,29,30,31,33)