1-(1-adamantyl)-3-[3-oxidanylidene-3-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-oxidanylidene-3-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-(4-isopropylbenzoyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-oxo-3-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]propyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-(4-cumoylpiperazino)-3-keto-propyl]urea Formula: C28H40N4O3 MolecularWeight: 480.6422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H40N4O3/c1-19(2)23-3-5-24(6-4-23)26(34)32-11-9-31(10-12-32)25(33)7-8-29-27(35)30-28-16-20-13-21(17-28)15-22(14-20)18-28/h3-6,19-22H,7-18H2,1-2H3,(H2,29,30,35)