3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-octyl-prop-2-enamide

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-octyl-prop-2-enamide Openeye Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-octyl-prop-2-enamide CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-octyl-2-propenamide IUPAC Name: 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-octylprop-2-enamide Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-octyl-acrylamide Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCCCCCNC(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H30N4O2/c1-2-3-4-5-6-12-17-31-29(34)23(20-30)18-24-21-33(25-14-8-7-9-15-25)32-28(24)27-19-22-13-10-11-16-26(22)35-27/h7-11,13-16,18-19,21H,2-6,12,17H2,1H3,(H,31,34)