5-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]pentanoic acid

Systemtic Name: 5-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]pentanoic acid Openeye Name: 5-[4-phenyl-5-[4-(4-piperidyl)phenyl]-1,2,4-triazol-3-yl]pentanoic acid CAS Name: 5-[4-phenyl-5-[4-(4-piperidinyl)phenyl]-1,2,4-triazol-3-yl]pentanoic acid IUPAC Name: 5-[4-phenyl-5-(4-piperidin-4-ylphenyl)-1,2,4-triazol-3-yl]pentanoic acid Traditional Name: 5-[4-phenyl-5-[4-(4-piperidyl)phenyl]-1,2,4-triazol-3-yl]valeric acid Formula: C24H28N4O2 MolecularWeight: 404.50472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)CCCCC(=O)O

Isomeric SMILES

C1CNCCC1C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)CCCCC(=O)O

InChI

InChI=1S/C24H28N4O2/c29-23(30)9-5-4-8-22-26-27-24(28(22)21-6-2-1-3-7-21)20-12-10-18(11-13-20)19-14-16-25-17-15-19/h1-3,6-7,10-13,19,25H,4-5,8-9,14-17H2,(H,29,30)