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

Systemtic Name: (E)-2-(2-fluorophenyl)carbonyl-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-(2-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-2-[(2-fluorophenyl)-oxomethyl]-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-(2-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-(2-fluorobenzoyl)acrylonitrile Formula: C26H18FN3O MolecularWeight: 407.439023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18FN3O/c27-24-14-8-7-13-23(24)26(31)21(16-28)15-22-18-30(17-19-9-3-1-4-10-19)29-25(22)20-11-5-2-6-12-20/h1-15,18H,17H2/b21-15+