1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[(E)-3-pyridin-4-ylprop-1-enyl]urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[(E)-3-pyridin-4-ylprop-1-enyl]urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[(E)-3-(4-pyridyl)prop-1-enyl]urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[(E)-3-pyridin-4-ylprop-1-enyl]urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[(E)-3-pyridin-4-ylprop-1-enyl]urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[(E)-3-(4-pyridyl)prop-1-enyl]urea Formula: C26H39N3O MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O/c1-2-3-4-13-29(25(30)28-10-5-6-21-7-11-27-12-8-21)14-9-26-18-22-15-23(19-26)17-24(16-22)20-26/h5,7-8,10-12,22-24H,2-4,6,9,13-20H2,1H3,(H,28,30)/b10-5+