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

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propyl]urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[3-(4-pyridyl)-2-(4-pyridylmethyl)propyl]urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propyl]urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propyl]urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[3-(4-pyridyl)-2-(4-pyridylmethyl)propyl]urea Formula: C32H46N4O MolecularWeight: 502.73384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC(CC4=CC=NC=C4)CC5=CC=NC=C5

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC(CC4=CC=NC=C4)CC5=CC=NC=C5

InChI

InChI=1S/C32H46N4O/c1-2-3-4-14-36(15-9-32-21-27-18-28(22-32)20-29(19-27)23-32)31(37)35-24-30(16-25-5-10-33-11-6-25)17-26-7-12-34-13-8-26/h5-8,10-13,27-30H,2-4,9,14-24H2,1H3,(H,35,37)