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

Systemtic Name: 4-[[(E)-2-cyano-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)prop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acryloyl]amino]benzoate Formula: C25H16N5O3- MolecularWeight: 434.42624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H17N5O3/c26-15-19(24(31)28-21-8-6-18(7-9-21)25(32)33)14-20-16-30(22-4-2-1-3-5-22)29-23(20)17-10-12-27-13-11-17/h1-14,16H,(H,28,31)(H,32,33)/p-1/b19-14+