2-[[(E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-acryloyl]amino]benzoic acid Formula: C26H19N5O3 MolecularWeight: 449.46076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=C(C#N)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H19N5O3/c27-14-20(25(32)29-23-11-5-4-10-22(23)26(33)34)13-21-17-31(16-18-7-2-1-3-8-18)30-24(21)19-9-6-12-28-15-19/h1-13,15,17H,16H2,(H,29,32)(H,33,34)/b20-13+