5-[2-(3H-benzimidazol-5-ylmethylamino)phenyl]-N-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[2-(3H-benzimidazol-5-ylmethylamino)phenyl]-N-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-[2-(3H-benzimidazol-5-ylmethylamino)phenyl]-N-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine CAS Name: 5-[2-(3H-benzimidazol-5-ylmethylamino)phenyl]-N-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[2-(3H-benzimidazol-5-ylmethylamino)phenyl]-N-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine Traditional Name: 3H-benzimidazol-5-ylmethyl-[2-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenyl]amine Formula: C23H19N7O2 MolecularWeight: 425.44266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NNC(=N3)C4=CC=CC=C4NCC5=CC6=C(C=C5)N=CN6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NNC(=N3)C4=CC=CC=C4NCC5=CC6=C(C=C5)N=CN6

InChI

InChI=1S/C23H19N7O2/c1-2-4-17(24-11-14-5-7-18-19(9-14)26-12-25-18)16(3-1)22-28-23(30-29-22)27-15-6-8-20-21(10-15)32-13-31-20/h1-10,12,24H,11,13H2,(H,25,26)(H2,27,28,29,30)