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

Systemtic Name: N3-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine Openeye Name: N3-[3-methoxy-4-[3-(1-piperidyl)propoxy]phenyl]-1-(2-pyridyl)-1,2,4-triazole-3,5-diamine CAS Name: N3-[3-methoxy-4-[3-(1-piperidinyl)propoxy]phenyl]-1-(2-pyridinyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[3-methoxy-4-(3-piperidin-1-ylpropoxy)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]-[3-methoxy-4-(3-piperidinopropoxy)phenyl]amine Formula: C22H29N7O2 MolecularWeight: 423.51136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NN(C(=N2)N)C3=CC=CC=N3)OCCCN4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NN(C(=N2)N)C3=CC=CC=N3)OCCCN4CCCCC4

InChI

InChI=1S/C22H29N7O2/c1-30-19-16-17(9-10-18(19)31-15-7-14-28-12-5-2-6-13-28)25-22-26-21(23)29(27-22)20-8-3-4-11-24-20/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H3,23,25,26,27)