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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C(CC)N

Isomeric SMILES

CCCC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C(CC)N

InChI

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