5-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 5-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide Openeye Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide CAS Name: 5-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]-N-[3-(1-imidazolyl)propyl]-3-pyridinecarboxamide IUPAC Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide Traditional Name: 5-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-N-(3-imidazol-1-ylpropyl)nicotinamide Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CN=CC(=C5)C(=O)NCCCN6C=CN=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CN=CC(=C5)C(=O)NCCCN6C=CN=C6

InChI

InChI=1S/C30H35N5O3/c36-28(34-26-13-24(17-32-18-26)29(37)33-6-1-8-35-9-7-31-20-35)19-38-27-4-2-25(3-5-27)30-14-21-10-22(15-30)12-23(11-21)16-30/h2-5,7,9,13,17-18,20-23H,1,6,8,10-12,14-16,19H2,(H,33,37)(H,34,36)