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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-propan-2-yl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-isopropyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-propan-2-ylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-propan-2-ylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-isopropyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O2/c1-4-19(23)21(13(2)3)8-5-15(6-9-21)26-18-11-14-7-10-24-20(25)16(14)12-17(18)22/h7,10-13,15,19H,4-6,8-9,23H2,1-3H3,(H,24,25)