1-[2-(1-adamantyl)ethyl]-3-(2,2-dimethyl-3-pyridin-4-yl-propyl)-1-pentyl-urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-3-(2,2-dimethyl-3-pyridin-4-yl-propyl)-1-pentyl-urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[2,2-dimethyl-3-(4-pyridyl)propyl]-1-pentyl-urea CAS Name: 1-[2-(1-adamantyl)ethyl]-3-(2,2-dimethyl-3-pyridin-4-ylpropyl)-1-pentylurea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-(2,2-dimethyl-3-pyridin-4-ylpropyl)-1-pentylurea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[2,2-dimethyl-3-(4-pyridyl)propyl]urea Formula: C28H45N3O MolecularWeight: 439.6764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC(C)(C)CC4=CC=NC=C4

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC(C)(C)CC4=CC=NC=C4

InChI

InChI=1S/C28H45N3O/c1-4-5-6-12-31(13-9-28-18-23-14-24(19-28)16-25(15-23)20-28)26(32)30-21-27(2,3)17-22-7-10-29-11-8-22/h7-8,10-11,23-25H,4-6,9,12-21H2,1-3H3,(H,30,32)