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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4)OC

InChI

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