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

Systemtic Name: 5-(2,3-dimethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5-(2,3-dimethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-(2,3-dimethoxyphenyl)-3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5-(2,3-dimethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5-(2,3-dimethoxyphenyl)-3-[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(=C1OC)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4

InChI

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