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

Systemtic Name: 1-[1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)heptan-4-yl]urea Openeye Name: [4-(1-adamantyl)-1-propyl-1-[2-(4-pyridyl)ethyl]butyl]urea CAS Name: [1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)heptan-4-yl]urea IUPAC Name: [1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)heptan-4-yl]urea Traditional Name: [4-(1-adamantyl)-1-propyl-1-[2-(4-pyridyl)ethyl]butyl]urea Formula: C25H39N3O MolecularWeight: 397.59666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O/c1-2-7-25(28-23(26)29,10-4-19-5-11-27-12-6-19)9-3-8-24-16-20-13-21(17-24)15-22(14-20)18-24/h5-6,11-12,20-22H,2-4,7-10,13-18H2,1H3,(H3,26,28,29)