1-[2-(1-adamantyl)ethyl]-3-[3-(4-methylpyridin-2-yl)propyl]-1-pentyl-urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-methylpyridin-2-yl)propyl]-1-pentyl-urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-methyl-2-pyridyl)propyl]-1-pentyl-urea CAS Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-methyl-2-pyridinyl)propyl]-1-pentylurea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(4-methylpyridin-2-yl)propyl]-1-pentylurea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[3-(4-methyl-2-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)NCCCC4=NC=CC(=C4)C

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=NC=CC(=C4)C

InChI

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