1-(3-bromophenyl)-3-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]urea

Systemtic Name: 1-(3-bromophenyl)-3-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]urea Openeye Name: 1-(3-bromophenyl)-3-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(3-bromophenyl)-3-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-bromophenyl)-3-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(3-bromophenyl)-3-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]urea Formula: C28H31BrN4O2 MolecularWeight: 535.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C28H31BrN4O2/c1-28(2,3)21-9-7-20(8-10-21)26(34)33-17-15-32(16-18-33)25-13-11-23(12-14-25)30-27(35)31-24-6-4-5-22(29)19-24/h4-14,19H,15-18H2,1-3H3,(H2,30,31,35)