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

Systemtic Name: 6-[4-azanyl-4-(3-methoxypropyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-amino-4-(3-methoxypropyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-amino-4-(3-methoxypropyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-amino-4-(3-methoxypropyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-amino-4-(3-methoxypropyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C19H25ClN2O3 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

Isomeric SMILES

COCCCC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

InChI

InChI=1S/C19H25ClN2O3/c1-24-10-2-6-19(21)7-3-14(4-8-19)25-17-11-13-5-9-22-18(23)15(13)12-16(17)20/h5,9,11-12,14H,2-4,6-8,10,21H2,1H3,(H,22,23)