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

Systemtic Name: 5-[(4-azanylcyclohexyl)amino]-4-ethyl-2H-isoquinolin-1-one Openeye Name: 5-[(4-aminocyclohexyl)amino]-4-ethyl-2H-isoquinolin-1-one CAS Name: 5-[(4-aminocyclohexyl)amino]-4-ethyl-2H-isoquinolin-1-one IUPAC Name: 5-[(4-aminocyclohexyl)amino]-4-ethyl-2H-isoquinolin-1-one Traditional Name: 5-[(4-aminocyclohexyl)amino]-4-ethyl-isocarbostyril Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CNC(=O)C2=C1C(=CC=C2)NC3CCC(CC3)N

Isomeric SMILES

CCC1=CNC(=O)C2=C1C(=CC=C2)NC3CCC(CC3)N

InChI

InChI=1S/C17H23N3O/c1-2-11-10-19-17(21)14-4-3-5-15(16(11)14)20-13-8-6-12(18)7-9-13/h3-5,10,12-13,20H,2,6-9,18H2,1H3,(H,19,21)