1-(4-bromophenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-(4-bromophenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea Openeye Name: 1-(4-bromophenyl)-3-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]urea CAS Name: 1-(4-bromophenyl)-3-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]urea IUPAC Name: 1-(4-bromophenyl)-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]urea Traditional Name: 1-(4-bromophenyl)-3-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]urea Formula: C25H39BrN4O3 MolecularWeight: 523.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C25H39BrN4O3/c1-4-6-7-8-9-10-22(31)29-15-17-30(18-16-29)24(32)23(19(3)5-2)28-25(33)27-21-13-11-20(26)12-14-21/h11-14,19,23H,4-10,15-18H2,1-3H3,(H2,27,28,33)