1-(2-bromophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-(2-bromophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(2-bromophenyl)-3-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(2-bromophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]urea Formula: C23H29BrN4O2 MolecularWeight: 473.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C23H29BrN4O2/c1-23(2,3)16-21(29)28-14-12-27(13-15-28)18-10-8-17(9-11-18)25-22(30)26-20-7-5-4-6-19(20)24/h4-11H,12-16H2,1-3H3,(H2,25,26,30)