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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(pyridin-4-ylmethyl)aniline Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(4-pyridylmethyl)aniline CAS Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(pyridin-4-ylmethyl)aniline IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(pyridin-4-ylmethyl)aniline Traditional Name: [2-(1-piperonyl-1,2,4-triazol-3-yl)phenyl]-(4-pyridylmethyl)amine Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=NC(=N3)C4=CC=CC=C4NCC5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=NC(=N3)C4=CC=CC=C4NCC5=CC=NC=C5

InChI

InChI=1S/C22H19N5O2/c1-2-4-19(24-12-16-7-9-23-10-8-16)18(3-1)22-25-14-27(26-22)13-17-5-6-20-21(11-17)29-15-28-20/h1-11,14,24H,12-13,15H2