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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 3-(3,5-dimethoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 3-(3,5-dimethoxyphenyl)-5-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 3-(3,5-dimethoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 3-(3,5-dimethoxyphenyl)-5-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazole Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=N2)C3=CC(=CC=C3)CN4CCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=N2)C3=CC(=CC=C3)CN4CCCC4)OC

InChI

InChI=1S/C21H24N4O2/c1-26-18-11-17(12-19(13-18)27-2)21-22-20(23-24-21)16-7-5-6-15(10-16)14-25-8-3-4-9-25/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,22,23,24)