3-[4-[[3-bromanyl-4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-[[3-bromanyl-4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[[3-bromo-4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[[3-bromo-4-(dimethylamino)phenyl]methyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[[3-bromo-4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [4-[[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazino]methyl]-2-bromo-phenyl]-dimethyl-amine Formula: C15H22BrN7 MolecularWeight: 380.28608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)CN2CCN(CC2)C3=NNC(=N3)N)Br

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)CN2CCN(CC2)C3=NNC(=N3)N)Br

InChI

InChI=1S/C15H22BrN7/c1-21(2)13-4-3-11(9-12(13)16)10-22-5-7-23(8-6-22)15-18-14(17)19-20-15/h3-4,9H,5-8,10H2,1-2H3,(H3,17,18,19,20)