5-[(4-bromophenyl)carbonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(4-fluorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-[4-(4-fluorophenyl)piperazino]nicotinic acid Formula: C23H20BrFN4O3 MolecularWeight: 499.332303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrFN4O3/c24-16-3-1-15(2-4-16)22(30)27-18-13-20(23(31)32)21(26-14-18)29-11-9-28(10-12-29)19-7-5-17(25)6-8-19/h1-8,13-14H,9-12H2,(H,27,30)(H,31,32)