1-[1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)nonan-4-yl]urea

Systemtic Name: 1-[1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)nonan-4-yl]urea Openeye Name: [1-[3-(1-adamantyl)propyl]-1-[2-(4-pyridyl)ethyl]hexyl]urea CAS Name: [1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)nonan-4-yl]urea IUPAC Name: [1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)nonan-4-yl]urea Traditional Name: [1-[3-(1-adamantyl)propyl]-1-[2-(4-pyridyl)ethyl]hexyl]urea Formula: C27H43N3O MolecularWeight: 425.64982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC12CC3CC(C1)CC(C3)C2)(CCC4=CC=NC=C4)NC(=O)N

Isomeric SMILES

CCCCCC(CCCC12CC3CC(C1)CC(C3)C2)(CCC4=CC=NC=C4)NC(=O)N

InChI

InChI=1S/C27H43N3O/c1-2-3-4-10-27(30-25(28)31,12-6-21-7-13-29-14-8-21)11-5-9-26-18-22-15-23(19-26)17-24(16-22)20-26/h7-8,13-14,22-24H,2-6,9-12,15-20H2,1H3,(H3,28,30,31)