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

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-3-(3-oxidanylidene-3-pyridin-4-yl-propyl)-1-pentyl-urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[3-oxo-3-(4-pyridyl)propyl]-1-pentyl-urea CAS Name: 1-[2-(1-adamantyl)ethyl]-3-(3-oxo-3-pyridin-4-ylpropyl)-1-pentylurea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-(3-oxo-3-pyridin-4-ylpropyl)-1-pentylurea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[3-keto-3-(4-pyridyl)propyl]urea Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O2/c1-2-3-4-12-29(25(31)28-11-7-24(30)23-5-9-27-10-6-23)13-8-26-17-20-14-21(18-26)16-22(15-20)19-26/h5-6,9-10,20-22H,2-4,7-8,11-19H2,1H3,(H,28,31)