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

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-butyl-3-(3-pyridin-4-ylpropyl)urea hydrochloride Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-butyl-3-[3-(4-pyridyl)propyl]urea hydrochloride CAS Name: 1-[2-(1-adamantyl)ethyl]-1-butyl-3-(3-pyridin-4-ylpropyl)urea hydrochloride IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-butyl-3-(3-pyridin-4-ylpropyl)urea hydrochloride Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-butyl-3-[3-(4-pyridyl)propyl]urea hydrochloride Formula: C25H40ClN3O MolecularWeight: 434.0576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O.ClH/c1-2-3-12-28(24(29)27-9-4-5-20-6-10-26-11-7-20)13-8-25-17-21-14-22(18-25)16-23(15-21)19-25;/h6-7,10-11,21-23H,2-5,8-9,12-19H2,1H3,(H,27,29);1H