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

Systemtic Name: 6-[(1R,4S)-4-azanylcycloheptyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[(1R,4S)-4-aminocycloheptoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[(1R,4S)-4-aminocycloheptyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[(1R,4S)-4-aminocycloheptyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[(1R,4S)-4-aminocycloheptoxy]-7-chloro-isocarbostyril Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC(C1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

Isomeric SMILES

C1C[C@@H](CC[C@@H](C1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

InChI

InChI=1S/C16H19ClN2O2/c17-14-9-13-10(6-7-19-16(13)20)8-15(14)21-12-3-1-2-11(18)4-5-12/h6-9,11-12H,1-5,18H2,(H,19,20)/t11-,12+/m0/s1