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

Systemtic Name: 6-[4-[azanyl(cyclopropyl)methyl]-4-cyclopropyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-[amino(cyclopropyl)methyl]-4-cyclopropyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-[amino(cyclopropyl)methyl]-4-cyclopropylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-[amino(cyclopropyl)methyl]-4-cyclopropylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-[amino(cyclopropyl)methyl]-4-cyclopropyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2(CCC(CC2)OC3=C(C=C4C(=C3)C=CNC4=O)Cl)C5CC5)N

Isomeric SMILES

C1CC1C(C2(CCC(CC2)OC3=C(C=C4C(=C3)C=CNC4=O)Cl)C5CC5)N

InChI

InChI=1S/C22H27ClN2O2/c23-18-12-17-14(7-10-25-21(17)26)11-19(18)27-16-5-8-22(9-6-16,15-3-4-15)20(24)13-1-2-13/h7,10-13,15-16,20H,1-6,8-9,24H2,(H,25,26)