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

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[2-(phenylmethyl)-3-pyridin-4-yl-propyl]urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[2-benzyl-3-(4-pyridyl)propyl]-1-pentyl-urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-pentyl-3-[2-(phenylmethyl)-3-pyridin-4-ylpropyl]urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-(2-benzyl-3-pyridin-4-ylpropyl)-1-pentylurea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-amyl-3-[2-benzyl-3-(4-pyridyl)propyl]urea Formula: C33H47N3O MolecularWeight: 501.74578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47N3O/c1-2-3-7-15-36(16-12-33-22-28-19-29(23-33)21-30(20-28)24-33)32(37)35-25-31(17-26-8-5-4-6-9-26)18-27-10-13-34-14-11-27/h4-6,8-11,13-14,28-31H,2-3,7,12,15-25H2,1H3,(H,35,37)