(E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[4-(4-bromobenzyl)oxy-3-ethoxy-phenyl]-2-cyano-N-(3-pyridylmethyl)acrylamide Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CN=CC=C2)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CN=CC=C2)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H22BrN3O3/c1-2-31-24-13-19(7-10-23(24)32-17-18-5-8-22(26)9-6-18)12-21(14-27)25(30)29-16-20-4-3-11-28-15-20/h3-13,15H,2,16-17H2,1H3,(H,29,30)/b21-12+