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

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-(4-pyridin-4-ylbutan-2-yl)urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[1-methyl-3-(4-pyridyl)propyl]-1-pentyl-urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-(4-pyridin-4-ylbutan-2-yl)urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-(4-pyridin-4-ylbutan-2-yl)urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[1-methyl-3-(4-pyridyl)propyl]urea Formula: C27H43N3O MolecularWeight: 425.64982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NC(C)CCC4=CC=NC=C4

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NC(C)CCC4=CC=NC=C4

InChI

InChI=1S/C27H43N3O/c1-3-4-5-13-30(26(31)29-21(2)6-7-22-8-11-28-12-9-22)14-10-27-18-23-15-24(19-27)17-25(16-23)20-27/h8-9,11-12,21,23-25H,3-7,10,13-20H2,1-2H3,(H,29,31)