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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-cyclobutyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-cyclobutyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-cyclobutylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-cyclobutylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-cyclobutyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4CCC4)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4CCC4)N

InChI

InChI=1S/C22H29ClN2O2/c1-2-20(24)22(15-4-3-5-15)9-6-16(7-10-22)27-19-12-14-8-11-25-21(26)17(14)13-18(19)23/h8,11-13,15-16,20H,2-7,9-10,24H2,1H3,(H,25,26)