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

Systemtic Name: 1-(3-bromophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-(3-bromophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(3-bromophenyl)-3-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-bromophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(3-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=C3)Br

Isomeric SMILES

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

InChI

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