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

Systemtic Name: 1-(4-bromophenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(4-bromophenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(4-bromophenyl)-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(4-bromophenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(4-bromophenyl)-3-[4-(4-caproylpiperazino)phenyl]urea Formula: C23H29BrN4O2 MolecularWeight: 473.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN4O2/c1-2-3-4-5-22(29)28-16-14-27(15-17-28)21-12-10-20(11-13-21)26-23(30)25-19-8-6-18(24)7-9-19/h6-13H,2-5,14-17H2,1H3,(H2,25,26,30)