5-[(1-azanylcyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 5-[(1-azanylcyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one hydrochloride Openeye Name: 5-[(1-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one hydrochloride CAS Name: 5-[(1-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one hydrochloride IUPAC Name: 5-[(1-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one hydrochloride Traditional Name: 5-[(1-aminocyclohexyl)amino]-4-methyl-isocarbostyril hydrochloride Formula: C16H22ClN3O MolecularWeight: 307.81838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)NC3(CCCCC3)N.Cl

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)NC3(CCCCC3)N.Cl

InChI

InChI=1S/C16H21N3O.ClH/c1-11-10-18-15(20)12-6-5-7-13(14(11)12)19-16(17)8-3-2-4-9-16;/h5-7,10,19H,2-4,8-9,17H2,1H3,(H,18,20);1H