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

Systemtic Name: 6-[4-(1-azanylethyl)-4-propyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminoethyl)-4-propyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminoethyl)-4-propylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminoethyl)-4-propylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminoethyl)-4-propyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C20H27ClN2O2 MolecularWeight: 362.89358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O2/c1-3-7-20(13(2)22)8-4-15(5-9-20)25-18-11-14-6-10-23-19(24)16(14)12-17(18)21/h6,10-13,15H,3-5,7-9,22H2,1-2H3,(H,23,24)