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

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine Openeye Name: 3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-N-(3-pyridylmethyl)pyridin-2-amine CAS Name: 3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-N-(3-pyridinylmethyl)-2-pyridinamine IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine Traditional Name: 1,3-benzodioxol-5-yl-[5-[2-(3-pyridylmethylamino)-3-pyridyl]-1H-1,2,4-triazol-3-yl]amine Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NNC(=N3)C4=C(N=CC=C4)NCC5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NNC(=N3)C4=C(N=CC=C4)NCC5=CN=CC=C5

InChI

InChI=1S/C20H17N7O2/c1-3-13(10-21-7-1)11-23-18-15(4-2-8-22-18)19-25-20(27-26-19)24-14-5-6-16-17(9-14)29-12-28-16/h1-10H,11-12H2,(H,22,23)(H2,24,25,26,27)