4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid Formula: C20H14ClN5O2 MolecularWeight: 391.81046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C20H14ClN5O2/c21-14-5-1-12(2-6-14)18-16(11-23-26-18)17-9-10-22-20(25-17)24-15-7-3-13(4-8-15)19(27)28/h1-11H,(H,23,26)(H,27,28)(H,22,24,25)