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

Systemtic Name: 1-(2-bromophenyl)-3-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea Openeye Name: 1-(2-bromophenyl)-3-[2-methyl-1-(3-methyl-4-octanoyl-piperazine-1-carbonyl)butyl]urea CAS Name: 1-(2-bromophenyl)-3-[3-methyl-1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxopentan-2-yl]urea IUPAC Name: 1-(2-bromophenyl)-3-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]urea Traditional Name: 1-(2-bromophenyl)-3-[1-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-butyl]urea Formula: C26H41BrN4O3 MolecularWeight: 537.53274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C26H41BrN4O3/c1-5-7-8-9-10-15-23(32)31-17-16-30(18-20(31)4)25(33)24(19(3)6-2)29-26(34)28-22-14-12-11-13-21(22)27/h11-14,19-20,24H,5-10,15-18H2,1-4H3,(H2,28,29,34)