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

Systemtic Name: 1,1-bis[2-(1-adamantyl)ethyl]-3-(3-pyridin-4-ylpropyl)urea hydrochloride Openeye Name: 1,1-bis[2-(1-adamantyl)ethyl]-3-[3-(4-pyridyl)propyl]urea hydrochloride CAS Name: 1,1-bis[2-(1-adamantyl)ethyl]-3-(3-pyridin-4-ylpropyl)urea hydrochloride IUPAC Name: 1,1-bis[2-(1-adamantyl)ethyl]-3-(3-pyridin-4-ylpropyl)urea hydrochloride Traditional Name: 1,1-bis[2-(1-adamantyl)ethyl]-3-[3-(4-pyridyl)propyl]urea hydrochloride Formula: C33H50ClN3O MolecularWeight: 540.2226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCN(CCC45CC6CC(C4)CC(C6)C5)C(=O)NCCCC7=CC=NC=C7.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCN(CCC45CC6CC(C4)CC(C6)C5)C(=O)NCCCC7=CC=NC=C7.Cl

InChI

InChI=1S/C33H49N3O.ClH/c37-31(35-7-1-2-24-3-8-34-9-4-24)36(10-5-32-18-25-12-26(19-32)14-27(13-25)20-32)11-6-33-21-28-15-29(22-33)17-30(16-28)23-33;/h3-4,8-9,25-30H,1-2,5-7,10-23H2,(H,35,37);1H