N3-[4-(4-piperazin-1-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-[4-(4-piperazin-1-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine Openeye Name: N3-[4-(4-piperazin-1-ylcyclohexyl)phenyl]-1-(2-pyridyl)-1,2,4-triazole-3,5-diamine CAS Name: N3-[4-[4-(1-piperazinyl)cyclohexyl]phenyl]-1-(2-pyridinyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[4-(4-piperazin-1-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(2-pyridyl)-1,2,4-triazol-3-yl]-[4-(4-piperazinocyclohexyl)phenyl]amine Formula: C23H30N8 MolecularWeight: 418.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)N5CCNCC5

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)N5CCNCC5

InChI

InChI=1S/C23H30N8/c24-22-28-23(29-31(22)21-3-1-2-12-26-21)27-19-8-4-17(5-9-19)18-6-10-20(11-7-18)30-15-13-25-14-16-30/h1-5,8-9,12,18,20,25H,6-7,10-11,13-16H2,(H3,24,27,28,29)