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

Systemtic Name: 6-[(1R,4S)-4-azanylcycloheptyl]oxy-2H-isoquinolin-1-one Openeye Name: 6-[(1R,4S)-4-aminocycloheptoxy]-2H-isoquinolin-1-one CAS Name: 6-[(1R,4S)-4-aminocycloheptyl]oxy-2H-isoquinolin-1-one IUPAC Name: 6-[(1R,4S)-4-aminocycloheptyl]oxy-2H-isoquinolin-1-one Traditional Name: 6-[(1R,4S)-4-aminocycloheptoxy]isocarbostyril Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC(C1)OC2=CC3=C(C=C2)C(=O)NC=C3)N

Isomeric SMILES

C1C[C@@H](CC[C@@H](C1)OC2=CC3=C(C=C2)C(=O)NC=C3)N

InChI

InChI=1S/C16H20N2O2/c17-12-2-1-3-13(5-4-12)20-14-6-7-15-11(10-14)8-9-18-16(15)19/h6-10,12-13H,1-5,17H2,(H,18,19)/t12-,13+/m0/s1