1-(1-adamantyl)-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-(1-adamantyl)-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(1-adamantyl)-3-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(1-adamantyl)-3-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(1-adamantyl)-3-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]urea Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O2/c1-3-22(4-2)25(32)31-11-9-30(10-12-31)24-7-5-23(6-8-24)28-26(33)29-27-16-19-13-20(17-27)15-21(14-19)18-27/h5-8,19-22H,3-4,9-18H2,1-2H3,(H2,28,29,33)