1-(4-bromophenyl)-3-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]urea

Systemtic Name: 1-(4-bromophenyl)-3-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]urea Openeye Name: 1-(4-bromophenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(4-bromophenyl)-3-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]urea IUPAC Name: 1-(4-bromophenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(4-bromophenyl)-3-[4-(4-o-toluoylpiperazino)phenyl]urea Formula: C25H25BrN4O2 MolecularWeight: 493.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN4O2/c1-18-4-2-3-5-23(18)24(31)30-16-14-29(15-17-30)22-12-10-21(11-13-22)28-25(32)27-20-8-6-19(26)7-9-20/h2-13H,14-17H2,1H3,(H2,27,28,32)