(E)-N-butyl-2-cyano-3-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-butyl-2-cyano-3-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyano-prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-N-butyl-2-cyano-acrylamide Formula: C25H26N4O2 MolecularWeight: 414.49954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)OC)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H26N4O2/c1-3-4-14-27-25(30)21(16-26)15-22-18-29(17-19-8-6-5-7-9-19)28-24(22)20-10-12-23(31-2)13-11-20/h5-13,15,18H,3-4,14,17H2,1-2H3,(H,27,30)/b21-15+