3-azanyl-2-(cyclohexylmethyl)isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(cyclohexylmethyl)isoquinolin-1-one Openeye Name: 3-amino-2-(cyclohexylmethyl)isoquinolin-1-one CAS Name: 3-amino-2-(cyclohexylmethyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(cyclohexylmethyl)isoquinolin-1-one Traditional Name: 3-amino-2-(cyclohexylmethyl)isocarbostyril Formula: C16H20N2O MolecularWeight: 256.3428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=CC3=CC=CC=C3C2=O)N

Isomeric SMILES

C1CCC(CC1)CN2C(=CC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C16H20N2O/c17-15-10-13-8-4-5-9-14(13)16(19)18(15)11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11,17H2