6-[4-azanyl-4-(2-fluorophenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-azanyl-4-(2-fluorophenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-amino-4-(2-fluorophenyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-amino-4-(2-fluorophenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-amino-4-(2-fluorophenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-amino-4-(2-fluorophenyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C21H20ClFN2O2 MolecularWeight: 386.847103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1OC2=C(C=C3C(=C2)C=CNC3=O)Cl)(C4=CC=CC=C4F)N

Isomeric SMILES

C1CC(CCC1OC2=C(C=C3C(=C2)C=CNC3=O)Cl)(C4=CC=CC=C4F)N

InChI

InChI=1S/C21H20ClFN2O2/c22-17-12-15-13(7-10-25-20(15)26)11-19(17)27-14-5-8-21(24,9-6-14)16-3-1-2-4-18(16)23/h1-4,7,10-12,14H,5-6,8-9,24H2,(H,25,26)