1-phenyl-3-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]urea

Systemtic Name: 1-phenyl-3-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-phenyl-3-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-phenyl-3-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-phenyl-3-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-phenyl-3-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]urea Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)CC(C)(C)C

InChI

InChI=1S/C26H36N4O2/c1-20(19-26(2,3)4)18-24(31)30-16-14-29(15-17-30)23-12-10-22(11-13-23)28-25(32)27-21-8-6-5-7-9-21/h5-13,20H,14-19H2,1-4H3,(H2,27,28,32)