N3-(4-morpholin-4-ylphenyl)-1-[2-(1,4-oxazepan-4-yl)pyridin-4-yl]-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-(4-morpholin-4-ylphenyl)-1-[2-(1,4-oxazepan-4-yl)pyridin-4-yl]-1,2,4-triazole-3,5-diamine Openeye Name: N3-(4-morpholinophenyl)-1-[2-(1,4-oxazepan-4-yl)-4-pyridyl]-1,2,4-triazole-3,5-diamine CAS Name: N3-[4-(4-morpholinyl)phenyl]-1-[2-(1,4-oxazepan-4-yl)-4-pyridinyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-(4-morpholin-4-ylphenyl)-1-[2-(1,4-oxazepan-4-yl)pyridin-4-yl]-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-[2-(1,4-oxazepan-4-yl)-4-pyridyl]-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)C2=NC=CC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)N5CCOCC5)N

Isomeric SMILES

C1CN(CCOC1)C2=NC=CC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)N5CCOCC5)N

InChI

InChI=1S/C22H28N8O2/c23-21-26-22(25-17-2-4-18(5-3-17)28-9-13-32-14-10-28)27-30(21)19-6-7-24-20(16-19)29-8-1-12-31-15-11-29/h2-7,16H,1,8-15H2,(H3,23,25,26,27)