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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)NC3CCC(CC3)N.Cl

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)NC3CCC(CC3)N.Cl

InChI

InChI=1S/C16H21N3O.ClH/c1-10-9-18-16(20)13-3-2-4-14(15(10)13)19-12-7-5-11(17)6-8-12;/h2-4,9,11-12,19H,5-8,17H2,1H3,(H,18,20);1H