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

Systemtic Name: 1-(3-bromophenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(3-bromophenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(3-bromophenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-bromophenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(3-bromophenyl)-3-[4-(4-caprylylpiperazino)phenyl]urea Formula: C25H33BrN4O2 MolecularWeight: 501.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN4O2/c1-2-3-4-5-6-10-24(31)30-17-15-29(16-18-30)23-13-11-21(12-14-23)27-25(32)28-22-9-7-8-20(26)19-22/h7-9,11-14,19H,2-6,10,15-18H2,1H3,(H2,27,28,32)