6-[4-azanyl-4-(3-oxidanylpropyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-azanyl-4-(3-oxidanylpropyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-amino-4-(3-hydroxypropyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-amino-4-(3-hydroxypropyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-amino-4-(3-hydroxypropyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-amino-4-(3-hydroxypropyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C18H23ClN2O3 MolecularWeight: 350.83982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1OC2=C(C=C3C(=C2)C=CNC3=O)Cl)(CCCO)N

Isomeric SMILES

C1CC(CCC1OC2=C(C=C3C(=C2)C=CNC3=O)Cl)(CCCO)N

InChI

InChI=1S/C18H23ClN2O3/c19-15-11-14-12(4-8-21-17(14)23)10-16(15)24-13-2-6-18(20,7-3-13)5-1-9-22/h4,8,10-11,13,22H,1-3,5-7,9,20H2,(H,21,23)