1-(1-adamantyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O2/c1-26(2,3)18-24(32)31-10-8-30(9-11-31)23-6-4-22(5-7-23)28-25(33)29-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-7,19-21H,8-18H2,1-3H3,(H2,28,29,33)