(E)-2-(4-propylphenyl)carbonyl-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-propylphenyl)carbonyl-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(4-propylbenzoyl)-3-[2-(2-pyridylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-[oxo-(4-propylphenyl)methyl]-3-[2-(2-pyridinylmethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-propylbenzoyl)-3-[2-(pyridin-2-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(4-propylbenzoyl)-3-[2-(2-pyridylmethoxy)phenyl]acrylonitrile Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=N3)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=CC=N3)/C#N

InChI

InChI=1S/C25H22N2O2/c1-2-7-19-11-13-20(14-12-19)25(28)22(17-26)16-21-8-3-4-10-24(21)29-18-23-9-5-6-15-27-23/h3-6,8-16H,2,7,18H2,1H3/b22-16+