N-[9-(3-phenyl-1,2,3-triazol-4-yl)nonyl]quinoline-4-carboxamide

Systemtic Name: N-[9-(3-phenyl-1,2,3-triazol-4-yl)nonyl]quinoline-4-carboxamide Openeye Name: N-[9-(3-phenyltriazol-4-yl)nonyl]quinoline-4-carboxamide CAS Name: N-[9-(3-phenyl-4-triazolyl)nonyl]-4-quinolinecarboxamide IUPAC Name: N-[9-(3-phenyltriazol-4-yl)nonyl]quinoline-4-carboxamide Traditional Name: N-[9-(3-phenyltriazol-4-yl)nonyl]cinchoninamide Formula: C27H31N5O MolecularWeight: 441.56794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CN=N2)CCCCCCCCCNC(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CN=N2)CCCCCCCCCNC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C27H31N5O/c33-27(25-18-20-28-26-17-11-10-16-24(25)26)29-19-12-5-3-1-2-4-7-15-23-21-30-31-32(23)22-13-8-6-9-14-22/h6,8-11,13-14,16-18,20-21H,1-5,7,12,15,19H2,(H,29,33)