3-[(4-bromophenyl)carbonylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(4-bromophenyl)carbonylamino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(4-bromobenzoyl)amino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]-4-[4-(2-fluorophenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-bromobenzoyl)amino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(4-bromobenzoyl)amino]-4-[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)C(=O)O)NC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4F

Isomeric SMILES

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

InChI

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