1-[2-(1-adamantyl)ethyl]-3-(3-methyl-4-pyridin-4-yl-butan-2-yl)-1-pentyl-urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-3-(3-methyl-4-pyridin-4-yl-butan-2-yl)-1-pentyl-urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[1,2-dimethyl-3-(4-pyridyl)propyl]-1-pentyl-urea CAS Name: 1-[2-(1-adamantyl)ethyl]-3-(3-methyl-4-pyridin-4-ylbutan-2-yl)-1-pentylurea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-(3-methyl-4-pyridin-4-ylbutan-2-yl)-1-pentylurea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[1,2-dimethyl-3-(4-pyridyl)propyl]urea Formula: C28H45N3O MolecularWeight: 439.6764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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