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

Systemtic Name: 2-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Openeye Name: 2-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)aniline CAS Name: 2-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline IUPAC Name: 2-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Traditional Name: [2-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyridylmethyl)amine Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4)OC

InChI

InChI=1S/C22H21N5O2/c1-28-17-11-16(12-18(13-17)29-2)21-25-22(27-26-21)19-5-3-4-6-20(19)24-14-15-7-9-23-10-8-15/h3-13,24H,14H2,1-2H3,(H,25,26,27)