4-[4-(2-phenylethynyl)phenyl]heptan-4-amine

Systemtic Name: 4-[4-(2-phenylethynyl)phenyl]heptan-4-amine Openeye Name: 4-[4-(2-phenylethynyl)phenyl]heptan-4-amine CAS Name: 4-[4-(2-phenylethynyl)phenyl]-4-heptanamine IUPAC Name: 4-[4-(2-phenylethynyl)phenyl]heptan-4-amine Traditional Name: [1-[4-(2-phenylethynyl)phenyl]-1-propyl-butyl]amine Formula: C21H25N MolecularWeight: 291.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C1=CC=C(C=C1)C#CC2=CC=CC=C2)N

Isomeric SMILES

CCCC(CCC)(C1=CC=C(C=C1)C#CC2=CC=CC=C2)N

InChI

InChI=1S/C21H25N/c1-3-16-21(22,17-4-2)20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-9,12-15H,3-4,16-17,22H2,1-2H3