1-(1-adamantyl)-3-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]pentan-2-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]pentan-2-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-(4-benzylpiperazine-1-carbonyl)butyl]urea CAS Name: 1-(1-adamantyl)-3-[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]pentan-2-yl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-(4-benzylpiperazine-1-carbonyl)butyl]urea Formula: C27H40N4O2 MolecularWeight: 452.6321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H40N4O2/c1-2-6-24(25(32)31-11-9-30(10-12-31)19-20-7-4-3-5-8-20)28-26(33)29-27-16-21-13-22(17-27)15-23(14-21)18-27/h3-5,7-8,21-24H,2,6,9-19H2,1H3,(H2,28,29,33)