2-[4-[(E)-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-1-oxo-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)prop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acryloyl]phenoxy]acetonitrile Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=CC(=O)C4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)/C=C/C(=O)C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C25H18N4O2/c26-14-17-31-23-9-6-19(7-10-23)24(30)11-8-21-18-29(22-4-2-1-3-5-22)28-25(21)20-12-15-27-16-13-20/h1-13,15-16,18H,17H2/b11-8+