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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-cyclopentyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-cyclopentyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-cyclopentylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-cyclopentylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-cyclopentyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4CCCC4)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4CCCC4)N

InChI

InChI=1S/C23H31ClN2O2/c1-2-21(25)23(16-5-3-4-6-16)10-7-17(8-11-23)28-20-13-15-9-12-26-22(27)18(15)14-19(20)24/h9,12-14,16-17,21H,2-8,10-11,25H2,1H3,(H,26,27)