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

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(4-butylphenyl)-2-cyano-prop-2-enamide Openeye Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(4-butylphenyl)-2-cyano-prop-2-enamide CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-N-(4-butylphenyl)-2-cyano-2-propenamide IUPAC Name: 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-(4-butylphenyl)-2-cyanoprop-2-enamide Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(4-butylphenyl)-2-cyano-acrylamide Formula: C31H26N4O2 MolecularWeight: 486.56374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)C#N

InChI

InChI=1S/C31H26N4O2/c1-2-3-9-22-14-16-26(17-15-22)33-31(36)24(20-32)18-25-21-35(27-11-5-4-6-12-27)34-30(25)29-19-23-10-7-8-13-28(23)37-29/h4-8,10-19,21H,2-3,9H2,1H3,(H,33,36)