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

Systemtic Name: 2-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide Openeye Name: 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide CAS Name: 2-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]-N-[3-(1-imidazolyl)propyl]-4-pyridinecarboxamide IUPAC Name: 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide Traditional Name: 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-N-(3-imidazol-1-ylpropyl)isonicotinamide 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=NC=CC(=C5)C(=O)NCCCN6C=CN=C6

Isomeric SMILES

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

InChI

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