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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)aniline CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Traditional Name: [2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyridylmethyl)amine Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4NCC5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4NCC5=CC=NC=C5

InChI

InChI=1S/C21H17N5O2/c1-2-4-17(23-12-14-7-9-22-10-8-14)16(3-1)21-24-20(25-26-21)15-5-6-18-19(11-15)28-13-27-18/h1-11,23H,12-13H2,(H,24,25,26)