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

Systemtic Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-cycloheptylcarbamimidoyl)ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-cycloheptylcarbamimidoyl)acetamide CAS Name: 2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-N-[amino(cycloheptylimino)methyl]acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]-N-(N'-cycloheptylcarbamimidoyl)acetamide Traditional Name: 2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]-N-(N'-cycloheptylamidino)acetamide Formula: C30H40N4O MolecularWeight: 472.6648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N=C(N)NC(=O)CN2C(=CC=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

C1CCCC(CC1)N=C(N)NC(=O)CN2C(=CC=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C30H40N4O/c31-29(32-25-10-6-1-2-7-11-25)33-28(35)20-34-26(24-8-4-3-5-9-24)12-13-27(34)30-17-21-14-22(18-30)16-23(15-21)19-30/h3-5,8-9,12-13,21-23,25H,1-2,6-7,10-11,14-20H2,(H3,31,32,33,35)