1-[2-(1-adamantyl)ethyl]-1-pentyl-3-(3-pyridin-4-ylpropyl)urea hydrochloride

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-(3-pyridin-4-ylpropyl)urea hydrochloride Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[3-(4-pyridyl)propyl]urea hydrochloride CAS Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-(3-pyridin-4-ylpropyl)urea hydrochloride IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-(3-pyridin-4-ylpropyl)urea hydrochloride Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[3-(4-pyridyl)propyl]urea hydrochloride Formula: C26H42ClN3O MolecularWeight: 448.08418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4.Cl

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4.Cl

InChI

InChI=1S/C26H41N3O.ClH/c1-2-3-4-13-29(25(30)28-10-5-6-21-7-11-27-12-8-21)14-9-26-18-22-15-23(19-26)17-24(16-22)20-26;/h7-8,11-12,22-24H,2-6,9-10,13-20H2,1H3,(H,28,30);1H