N-[1-(4-cyanobutyl)pyrazol-4-yl]-5-(2-phenylethynyl)furan-2-carboxamide

Systemtic Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-5-(2-phenylethynyl)furan-2-carboxamide Openeye Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-5-(2-phenylethynyl)furan-2-carboxamide CAS Name: N-[1-(4-cyanobutyl)-4-pyrazolyl]-5-(2-phenylethynyl)-2-furancarboxamide IUPAC Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-5-(2-phenylethynyl)furan-2-carboxamide Traditional Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-5-(2-phenylethynyl)-2-furamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)NC3=CN(N=C3)CCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)NC3=CN(N=C3)CCCCC#N

InChI

InChI=1S/C21H18N4O2/c22-13-5-2-6-14-25-16-18(15-23-25)24-21(26)20-12-11-19(27-20)10-9-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15-16H,2,5-6,14H2,(H,24,26)