(E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]phenyl]-N-octyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]phenyl]-N-octyl-prop-2-enamide Openeye Name: (E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyano-N-octyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]phenyl]-N-octyl-2-propenamide IUPAC Name: (E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyano-N-octylprop-2-enamide Traditional Name: (E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyano-N-octyl-acrylamide Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=CC=C(C=C1)N(CC)CC2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCCCCNC(=O)/C(=C/C1=CC=C(C=C1)N(CC)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C27H35N3O/c1-3-5-6-7-8-12-19-29-27(31)25(21-28)20-23-15-17-26(18-16-23)30(4-2)22-24-13-10-9-11-14-24/h9-11,13-18,20H,3-8,12,19,22H2,1-2H3,(H,29,31)/b25-20+