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

Systemtic Name: 5-[(4-azanylcyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one Openeye Name: 5-[(4-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one CAS Name: 5-[(4-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one IUPAC Name: 5-[(4-aminocyclohexyl)amino]-4-methyl-2H-isoquinolin-1-one Traditional Name: 5-[(4-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)NC3CCC(CC3)N

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/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)