5-[(4-bromophenyl)carbonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-[4-(2-pyridyl)piperazino]benzoic acid Formula: C23H21BrN4O3 MolecularWeight: 481.34184

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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=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C23H21BrN4O3/c24-17-6-4-16(5-7-17)22(29)26-18-8-9-20(19(15-18)23(30)31)27-11-13-28(14-12-27)21-3-1-2-10-25-21/h1-10,15H,11-14H2,(H,26,29)(H,30,31)