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

Systemtic Name: N3-[4-(4-piperidin-1-ylcyclohexyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine Openeye Name: N3-[4-[4-(1-piperidyl)cyclohexyl]phenyl]-1-(2-pyridyl)-1,2,4-triazole-3,5-diamine CAS Name: N3-[4-[4-(1-piperidinyl)cyclohexyl]phenyl]-1-(2-pyridinyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[4-(4-piperidin-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-piperidinocyclohexyl)phenyl]amine Formula: C24H31N7 MolecularWeight: 417.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCC(CC2)C3=CC=C(C=C3)NC4=NN(C(=N4)N)C5=CC=CC=N5

Isomeric SMILES

C1CCN(CC1)C2CCC(CC2)C3=CC=C(C=C3)NC4=NN(C(=N4)N)C5=CC=CC=N5

InChI

InChI=1S/C24H31N7/c25-23-28-24(29-31(23)22-6-2-3-15-26-22)27-20-11-7-18(8-12-20)19-9-13-21(14-10-19)30-16-4-1-5-17-30/h2-3,6-8,11-12,15,19,21H,1,4-5,9-10,13-14,16-17H2,(H3,25,27,28,29)