3-azanyl-2-(2,3-dimethylcyclohexyl)isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(2,3-dimethylcyclohexyl)isoquinolin-1-one Openeye Name: 3-amino-2-(2,3-dimethylcyclohexyl)isoquinolin-1-one CAS Name: 3-amino-2-(2,3-dimethylcyclohexyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(2,3-dimethylcyclohexyl)isoquinolin-1-one Traditional Name: 3-amino-2-(2,3-dimethylcyclohexyl)isocarbostyril Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=CC3=CC=CC=C3C2=O)N

Isomeric SMILES

CC1CCCC(C1C)N2C(=CC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C17H22N2O/c1-11-6-5-9-15(12(11)2)19-16(18)10-13-7-3-4-8-14(13)17(19)20/h3-4,7-8,10-12,15H,5-6,9,18H2,1-2H3