N-[4-[4-(2-phenylethynyl)phenyl]heptan-4-yl]methanamide

Systemtic Name: N-[4-[4-(2-phenylethynyl)phenyl]heptan-4-yl]methanamide Openeye Name: N-[1-[4-(2-phenylethynyl)phenyl]-1-propyl-butyl]formamide CAS Name: N-[4-[4-(2-phenylethynyl)phenyl]heptan-4-yl]formamide IUPAC Name: N-[4-[4-(2-phenylethynyl)phenyl]heptan-4-yl]formamide Traditional Name: N-[1-[4-(2-phenylethynyl)phenyl]-1-propyl-butyl]formamide Formula: C22H25NO MolecularWeight: 319.44

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C1=CC=C(C=C1)C#CC2=CC=CC=C2)NC=O

Isomeric SMILES

CCCC(CCC)(C1=CC=C(C=C1)C#CC2=CC=CC=C2)NC=O

InChI

InChI=1S/C22H25NO/c1-3-16-22(17-4-2,23-18-24)21-14-12-20(13-15-21)11-10-19-8-6-5-7-9-19/h5-9,12-15,18H,3-4,16-17H2,1-2H3,(H,23,24)