3-chloranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-chloranyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid CAS Name: 3-chloro-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-chloro-4-[4-(2-pyrimidyl)piperazino]benzoic acid Formula: C15H15ClN4O2 MolecularWeight: 318.7582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)Cl)C3=NC=CC=N3

InChI

InChI=1S/C15H15ClN4O2/c16-12-10-11(14(21)22)2-3-13(12)19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10H,6-9H2,(H,21,22)