1-tert-butyl-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-tert-butyl-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-tert-butyl-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-tert-butyl-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-tert-butyl-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-tert-butyl-3-[4-(4-caproylpiperazino)phenyl]urea Formula: C21H34N4O2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(C)(C)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(C)(C)C

InChI

InChI=1S/C21H34N4O2/c1-5-6-7-8-19(26)25-15-13-24(14-16-25)18-11-9-17(10-12-18)22-20(27)23-21(2,3)4/h9-12H,5-8,13-16H2,1-4H3,(H2,22,23,27)