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

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)pyridin-2-amine CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)-2-pyridinamine IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)pyridin-2-amine Traditional Name: [3-[3-(3,4-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=C(C=C(C=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCC4=CC=NC=C4)OC

Isomeric SMILES

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

InChI

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