1-[1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)octan-4-yl]urea

Systemtic Name: 1-[1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)octan-4-yl]urea Openeye Name: [1-[3-(1-adamantyl)propyl]-1-[2-(4-pyridyl)ethyl]pentyl]urea CAS Name: [1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)octan-4-yl]urea IUPAC Name: [1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)octan-4-yl]urea Traditional Name: [1-[3-(1-adamantyl)propyl]-1-[2-(4-pyridyl)ethyl]pentyl]urea Formula: C26H41N3O MolecularWeight: 411.62324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC12CC3CC(C1)CC(C3)C2)(CCC4=CC=NC=C4)NC(=O)N

Isomeric SMILES

CCCCC(CCCC12CC3CC(C1)CC(C3)C2)(CCC4=CC=NC=C4)NC(=O)N

InChI

InChI=1S/C26H41N3O/c1-2-3-9-26(29-24(27)30,11-5-20-6-12-28-13-7-20)10-4-8-25-17-21-14-22(18-25)16-23(15-21)19-25/h6-7,12-13,21-23H,2-5,8-11,14-19H2,1H3,(H3,27,29,30)