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

Systemtic Name: 6-[4-[azanyl(phenyl)methyl]-4-cyclopentyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-[amino(phenyl)methyl]-4-cyclopentyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-[amino(phenyl)methyl]-4-cyclopentylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-[amino(phenyl)methyl]-4-cyclopentylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-[amino(phenyl)methyl]-4-cyclopentyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C27H31ClN2O2 MolecularWeight: 451.00024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CCC(CC2)OC3=C(C=C4C(=C3)C=CNC4=O)Cl)C(C5=CC=CC=C5)N

Isomeric SMILES

C1CCC(C1)C2(CCC(CC2)OC3=C(C=C4C(=C3)C=CNC4=O)Cl)C(C5=CC=CC=C5)N

InChI

InChI=1S/C27H31ClN2O2/c28-23-17-22-19(12-15-30-26(22)31)16-24(23)32-21-10-13-27(14-11-21,20-8-4-5-9-20)25(29)18-6-2-1-3-7-18/h1-3,6-7,12,15-17,20-21,25H,4-5,8-11,13-14,29H2,(H,30,31)