1-methyl-N5-[3-(1-piperidin-1-ylisoquinolin-5-yl)oxypropyl]-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-methyl-N5-[3-(1-piperidin-1-ylisoquinolin-5-yl)oxypropyl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-methyl-N5-[3-[[1-(1-piperidyl)-5-isoquinolyl]oxy]propyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-methyl-N5-[3-[[1-(1-piperidinyl)-5-isoquinolinyl]oxy]propyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-methyl-5-N-[3-(1-piperidin-1-ylisoquinolin-5-yl)oxypropyl]-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-2-methyl-1,2,4-triazol-3-yl)-[3-[(1-piperidino-5-isoquinolyl)oxy]propyl]amine Formula: C20H27N7O MolecularWeight: 381.47468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)N)NCCCOC2=CC=CC3=C2C=CN=C3N4CCCCC4

Isomeric SMILES

CN1C(=NC(=N1)N)NCCCOC2=CC=CC3=C2C=CN=C3N4CCCCC4

InChI

InChI=1S/C20H27N7O/c1-26-20(24-19(21)25-26)23-10-6-14-28-17-8-5-7-16-15(17)9-11-22-18(16)27-12-3-2-4-13-27/h5,7-9,11H,2-4,6,10,12-14H2,1H3,(H3,21,23,24,25)