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

Systemtic Name: 6-[4-[azanyl(phenyl)methyl]-4-methyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-[amino(phenyl)methyl]-4-methyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-[amino(phenyl)methyl]-4-methylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-[amino(phenyl)methyl]-4-methylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-[amino(phenyl)methyl]-4-methyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C(C4=CC=CC=C4)N

Isomeric SMILES

CC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C(C4=CC=CC=C4)N

InChI

InChI=1S/C23H25ClN2O2/c1-23(21(25)15-5-3-2-4-6-15)10-7-17(8-11-23)28-20-13-16-9-12-26-22(27)18(16)14-19(20)24/h2-6,9,12-14,17,21H,7-8,10-11,25H2,1H3,(H,26,27)