5-[(4-bromophenyl)carbonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(4-fluorophenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-[4-(4-fluorophenyl)piperazino]benzoic acid Formula: C24H21BrFN3O3 MolecularWeight: 498.344243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C24H21BrFN3O3/c25-17-3-1-16(2-4-17)23(30)27-19-7-10-22(21(15-19)24(31)32)29-13-11-28(12-14-29)20-8-5-18(26)6-9-20/h1-10,15H,11-14H2,(H,27,30)(H,31,32)