5-phenyl-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole hydrochloride

Systemtic Name: 5-phenyl-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole hydrochloride Openeye Name: 5-phenyl-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole hydrochloride CAS Name: 5-phenyl-3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazole hydrochloride IUPAC Name: 5-phenyl-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole hydrochloride Traditional Name: 5-phenyl-3-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazole hydrochloride Formula: C19H21ClN4 MolecularWeight: 340.84984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC(=C2)C3=NNC(=N3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=CC(=C2)C3=NNC(=N3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C19H20N4.ClH/c1-2-8-16(9-3-1)18-20-19(22-21-18)17-10-6-7-15(13-17)14-23-11-4-5-12-23;/h1-3,6-10,13H,4-5,11-12,14H2,(H,20,21,22);1H