4-[1-(phenylmethyl)-5-(pyridin-3-ylcarbonylamino)pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[1-(phenylmethyl)-5-(pyridin-3-ylcarbonylamino)pyrazol-3-yl]benzoic acid Openeye Name: 4-[1-benzyl-5-(pyridine-3-carbonylamino)pyrazol-3-yl]benzoic acid CAS Name: 4-[5-[[oxo(3-pyridinyl)methyl]amino]-1-(phenylmethyl)-3-pyrazolyl]benzoic acid IUPAC Name: 4-[1-benzyl-5-(pyridine-3-carbonylamino)pyrazol-3-yl]benzoic acid Traditional Name: 4-(1-benzyl-5-nicotinamido-pyrazol-3-yl)benzoic acid Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)C(=O)O)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)C(=O)O)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H18N4O3/c28-22(19-7-4-12-24-14-19)25-21-13-20(17-8-10-18(11-9-17)23(29)30)26-27(21)15-16-5-2-1-3-6-16/h1-14H,15H2,(H,25,28)(H,29,30)