1-(1-adamantyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea Openeye Name: 1-(1-adamantyl)-3-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]urea CAS Name: 1-(1-adamantyl)-3-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]urea Formula: C29H50N4O3 MolecularWeight: 502.7323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C29H50N4O3/c1-4-6-7-8-9-10-25(34)32-11-13-33(14-12-32)27(35)26(21(3)5-2)30-28(36)31-29-18-22-15-23(19-29)17-24(16-22)20-29/h21-24,26H,4-20H2,1-3H3,(H2,30,31,36)