(E)-2-(2-fluorophenyl)carbonyl-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(2-fluorophenyl)carbonyl-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(2-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-2-[(2-fluorophenyl)-oxomethyl]-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-(2-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(2-fluorobenzoyl)acrylonitrile Formula: C25H17FN4O MolecularWeight: 408.427083

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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)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C(\C#N)/C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H17FN4O/c26-23-11-5-4-10-22(23)25(31)20(14-27)13-21-17-30(16-18-7-2-1-3-8-18)29-24(21)19-9-6-12-28-15-19/h1-13,15,17H,16H2/b20-13+