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

Systemtic Name: 2-[[(E)-2-cyano-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]benzoic acid Formula: C25H17N5O3 MolecularWeight: 435.43418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=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)N2C=C(C(=N2)C3=CN=CC=C3)/C=C(\C#N)/C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H17N5O3/c26-14-18(24(31)28-22-11-5-4-10-21(22)25(32)33)13-19-16-30(20-8-2-1-3-9-20)29-23(19)17-7-6-12-27-15-17/h1-13,15-16H,(H,28,31)(H,32,33)/b18-13+