3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine

Systemtic Name: 3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine Openeye Name: 3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)pyridin-2-amine CAS Name: 3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)-2-pyridinamine IUPAC Name: 3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine Traditional Name: [3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-2-pyridyl]-(4-pyridylmethyl)amine Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCC4=CC=NC=C4)OC

InChI

InChI=1S/C21H20N6O2/c1-28-16-10-15(11-17(12-16)29-2)19-25-21(27-26-19)18-4-3-7-23-20(18)24-13-14-5-8-22-9-6-14/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26,27)