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

Systemtic Name: 2-[3-(4-ethynylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Openeye Name: 2-[3-(4-ethynylphenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)aniline CAS Name: 2-[3-(4-ethynylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline IUPAC Name: 2-[3-(4-ethynylphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Traditional Name: [2-[3-(4-ethynylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyridylmethyl)amine Formula: C22H17N5 MolecularWeight: 351.40388

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4

InChI

InChI=1S/C22H17N5/c1-2-16-7-9-18(10-8-16)21-25-22(27-26-21)19-5-3-4-6-20(19)24-15-17-11-13-23-14-12-17/h1,3-14,24H,15H2,(H,25,26,27)