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

Systemtic Name: N3-[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine Openeye Name: N3-[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(2-pyridyl)-1,2,4-triazole-3,5-diamine CAS Name: N3-[2-methoxy-4-[(4-methyl-1-piperazinyl)methyl]phenyl]-1-(2-pyridinyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]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]-[2-methoxy-4-[(4-methylpiperazino)methyl]phenyl]amine Formula: C20H26N8O MolecularWeight: 394.47344

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)OC

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)OC

InChI

InChI=1S/C20H26N8O/c1-26-9-11-27(12-10-26)14-15-6-7-16(17(13-15)29-2)23-20-24-19(21)28(25-20)18-5-3-4-8-22-18/h3-8,13H,9-12,14H2,1-2H3,(H3,21,23,24,25)