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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]aniline Traditional Name: [2-[1-(3-bromophenyl)-1,2,4-triazol-3-yl]phenyl]-piperonyl-amine Formula: C22H17BrN4O2 MolecularWeight: 449.29998

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC=CC=C3C4=NN(C=N4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC=CC=C3C4=NN(C=N4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C22H17BrN4O2/c23-16-4-3-5-17(11-16)27-13-25-22(26-27)18-6-1-2-7-19(18)24-12-15-8-9-20-21(10-15)29-14-28-20/h1-11,13,24H,12,14H2