1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[2-(pyridin-4-ylmethyl)butyl]urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[2-(pyridin-4-ylmethyl)butyl]urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[2-(4-pyridylmethyl)butyl]urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[2-(pyridin-4-ylmethyl)butyl]urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[2-(pyridin-4-ylmethyl)butyl]urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[2-(4-pyridylmethyl)butyl]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(CC)CC4=CC=NC=C4

Isomeric SMILES

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

InChI

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