6-[(1R,4S)-4-azanylcycloheptyl]oxy-7-methyl-2H-isoquinolin-1-one

Systemtic Name: 6-[(1R,4S)-4-azanylcycloheptyl]oxy-7-methyl-2H-isoquinolin-1-one Openeye Name: 6-[(1R,4S)-4-aminocycloheptoxy]-7-methyl-2H-isoquinolin-1-one CAS Name: 6-[(1R,4S)-4-aminocycloheptyl]oxy-7-methyl-2H-isoquinolin-1-one IUPAC Name: 6-[(1R,4S)-4-aminocycloheptyl]oxy-7-methyl-2H-isoquinolin-1-one Traditional Name: 6-[(1R,4S)-4-aminocycloheptoxy]-7-methyl-isocarbostyril Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CNC(=O)C2=C1)OC3CCCC(CC3)N

Isomeric SMILES

CC1=C(C=C2C=CNC(=O)C2=C1)O[C@@H]3CCC[C@@H](CC3)N

InChI

InChI=1S/C17H22N2O2/c1-11-9-15-12(7-8-19-17(15)20)10-16(11)21-14-4-2-3-13(18)5-6-14/h7-10,13-14H,2-6,18H2,1H3,(H,19,20)/t13-,14+/m0/s1