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

Systemtic Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-cyclopropylcarbamimidoyl)ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-cyclopropylcarbamimidoyl)acetamide CAS Name: 2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-N-[amino(cyclopropylimino)methyl]acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-(N'-cyclopropylcarbamimidoyl)acetamide Traditional Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-cyclopropylamidino)acetamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N=C(N)NC(=O)CN2C(=CC=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

C1CC1N=C(N)NC(=O)CN2C(=CC=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C26H32N4O/c27-25(28-21-6-7-21)29-24(31)16-30-22(20-4-2-1-3-5-20)8-9-23(30)26-13-17-10-18(14-26)12-19(11-17)15-26/h1-5,8-9,17-19,21H,6-7,10-16H2,(H3,27,28,29,31)