5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-triazin-3-yl]-[(3-phenyl-1H-pyrazol-5-yl)methyl]amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O1)C3=CN=NC(=N3)NCC4=CC(=NN4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(C=CC=C2O1)C3=CN=NC(=N3)NCC4=CC(=NN4)C5=CC=CC=C5

InChI

InChI=1S/C21H18N6O2/c1-2-5-14(6-3-1)17-11-15(25-26-17)12-22-21-24-18(13-23-27-21)16-7-4-8-19-20(16)29-10-9-28-19/h1-8,11,13H,9-10,12H2,(H,25,26)(H,22,24,27)