N3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isoquinolin-1-yl-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isoquinolin-1-yl-1,2,4-triazole-3,5-diamine Openeye Name: N3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-isoquinolyl)-1,2,4-triazole-3,5-diamine CAS Name: N3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-isoquinolinyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isoquinolin-1-yl-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(1-isoquinolyl)-1,2,4-triazol-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NN(C(=N3)N)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NN(C(=N3)N)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C19H16N6O2/c20-18-23-19(22-13-5-6-15-16(11-13)27-10-9-26-15)24-25(18)17-14-4-2-1-3-12(14)7-8-21-17/h1-8,11H,9-10H2,(H3,20,22,23,24)