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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O)C4=CC=CC=C4F

InChI

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