1-(1-adamantyl)-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-(4-isobutyrylpiperazino)-3-keto-propyl]urea Formula: C22H36N4O3 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O3/c1-15(2)20(28)26-7-5-25(6-8-26)19(27)3-4-23-21(29)24-22-12-16-9-17(13-22)11-18(10-16)14-22/h15-18H,3-14H2,1-2H3,(H2,23,24,29)