6-[[(1S,3R)-5-azanyl-2-adamantyl]oxy]-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[[(1S,3R)-5-azanyl-2-adamantyl]oxy]-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[[(1S,3R)-5-amino-2-adamantyl]oxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[[(1S,3R)-5-amino-2-adamantyl]oxy]-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[[(1S,3R)-5-amino-2-adamantyl]oxy]-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[[(1S,3R)-5-amino-2-adamantyl]oxy]-7-chloro-isocarbostyril Formula: C19H21ClN2O2 MolecularWeight: 344.83524

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3OC4=C(C=C5C(=C4)C=CNC5=O)Cl)N

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2OC4=C(C=C5C(=C4)C=CNC5=O)Cl)CC1C3)N

InChI

InChI=1S/C19H21ClN2O2/c20-15-6-14-11(1-2-22-18(14)23)5-16(15)24-17-12-3-10-4-13(17)9-19(21,7-10)8-12/h1-2,5-6,10,12-13,17H,3-4,7-9,21H2,(H,22,23)/t10?,12-,13+,17?,19?