1-(1-adamantyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(1-adamantyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(1-adamantyl)-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(1-adamantyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(1-adamantyl)-3-[4-(4-caproylpiperazino)phenyl]urea Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H40N4O2/c1-2-3-4-5-25(32)31-12-10-30(11-13-31)24-8-6-23(7-9-24)28-26(33)29-27-17-20-14-21(18-27)16-22(15-20)19-27/h6-9,20-22H,2-5,10-19H2,1H3,(H2,28,29,33)