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

Systemtic Name: 1-butyl-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-butyl-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-butyl-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-butyl-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-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)NCCCC

Isomeric SMILES

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

InChI

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