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

Systemtic Name: 5-[(1-azanylcyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one Openeye Name: 5-[(1-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one CAS Name: 5-[(1-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one IUPAC Name: 5-[(1-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one Traditional Name: 5-[(1-aminocyclohexyl)amino]-4-methyl-isocarbostyril Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/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)