6-[4-azanyl-4-[2,4-bis(fluoranyl)phenyl]cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-azanyl-4-[2,4-bis(fluoranyl)phenyl]cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one Openeye Name: 6-[4-amino-4-(2,4-difluorophenyl)cyclohexoxy]-7-methyl-2H-isoquinolin-1-one CAS Name: 6-[4-amino-4-(2,4-difluorophenyl)cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one IUPAC Name: 6-[4-amino-4-(2,4-difluorophenyl)cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one Traditional Name: 6-[4-amino-4-(2,4-difluorophenyl)cyclohexoxy]-7-methyl-isocarbostyril Formula: C22H22F2N2O2 MolecularWeight: 384.419086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CNC(=O)C2=C1)OC3CCC(CC3)(C4=C(C=C(C=C4)F)F)N

Isomeric SMILES

CC1=C(C=C2C=CNC(=O)C2=C1)OC3CCC(CC3)(C4=C(C=C(C=C4)F)F)N

InChI

InChI=1S/C22H22F2N2O2/c1-13-10-17-14(6-9-26-21(17)27)11-20(13)28-16-4-7-22(25,8-5-16)18-3-2-15(23)12-19(18)24/h2-3,6,9-12,16H,4-5,7-8,25H2,1H3,(H,26,27)