2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-octyl-prop-2-enamide

Systemtic Name: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-octyl-prop-2-enamide Openeye Name: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-octyl-prop-2-enamide CAS Name: 2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-N-octyl-2-propenamide IUPAC Name: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-octylprop-2-enamide Traditional Name: 2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-octyl-acrylamide Formula: C27H30N4O MolecularWeight: 426.5533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCNC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H30N4O/c1-2-3-4-5-6-13-18-29-27(32)23(20-28)19-24-21-31(25-16-11-8-12-17-25)30-26(24)22-14-9-7-10-15-22/h7-12,14-17,19,21H,2-6,13,18H2,1H3,(H,29,32)