5-[3-[(5-azanyl-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 5-[3-[(5-azanyl-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one hydrochloride Openeye Name: 5-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one hydrochloride CAS Name: 5-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one hydrochloride IUPAC Name: 5-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one hydrochloride Traditional Name: 5-[3-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]propoxy]isocarbostyril hydrochloride Formula: C15H19ClN6O2 MolecularWeight: 350.80336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)N)NCCCOC2=CC=CC3=C2C=CNC3=O.Cl

Isomeric SMILES

CN1C(=NC(=N1)N)NCCCOC2=CC=CC3=C2C=CNC3=O.Cl

InChI

InChI=1S/C15H18N6O2.ClH/c1-21-15(19-14(16)20-21)18-7-3-9-23-12-5-2-4-11-10(12)6-8-17-13(11)22;/h2,4-6,8H,3,7,9H2,1H3,(H,17,22)(H3,16,18,19,20);1H