1-[2-(1-adamantyl)ethyl]-1-phenylmethoxy-3-(3-pyridin-4-ylpropyl)urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-phenylmethoxy-3-(3-pyridin-4-ylpropyl)urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-benzyloxy-3-[3-(4-pyridyl)propyl]urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-phenylmethoxy-3-(3-pyridin-4-ylpropyl)urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-phenylmethoxy-3-(3-pyridin-4-ylpropyl)urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-benzoxy-3-[3-(4-pyridyl)propyl]urea Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCN(C(=O)NCCCC4=CC=NC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCN(C(=O)NCCCC4=CC=NC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H37N3O2/c32-27(30-11-4-7-22-8-12-29-13-9-22)31(33-21-23-5-2-1-3-6-23)14-10-28-18-24-15-25(19-28)17-26(16-24)20-28/h1-3,5-6,8-9,12-13,24-26H,4,7,10-11,14-21H2,(H,30,32)