6-[(4-azanyl-4-phenyl-1-adamantyl)oxy]-7-chloranyl-8aH-isoquinolin-1-one

Systemtic Name: 6-[(4-azanyl-4-phenyl-1-adamantyl)oxy]-7-chloranyl-8aH-isoquinolin-1-one Openeye Name: 6-[(4-amino-4-phenyl-1-adamantyl)oxy]-7-chloro-8aH-isoquinolin-1-one CAS Name: 6-[(4-amino-4-phenyl-1-adamantyl)oxy]-7-chloro-8aH-isoquinolin-1-one IUPAC Name: 6-[(4-amino-4-phenyl-1-adamantyl)oxy]-7-chloro-8aH-isoquinolin-1-one Traditional Name: 6-[(4-amino-4-phenyl-1-adamantyl)oxy]-7-chloro-8aH-isoquinolin-1-one Formula: C25H25ClN2O2 MolecularWeight: 420.9312

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(C4=CC=CC=C4)N)OC5=CC6=CC=NC(=O)C6C=C5Cl

Isomeric SMILES

C1C2CC3CC(C2)(CC1C3(C4=CC=CC=C4)N)OC5=CC6=CC=NC(=O)C6C=C5Cl

InChI

InChI=1S/C25H25ClN2O2/c26-21-11-20-16(6-7-28-23(20)29)10-22(21)30-24-12-15-8-18(13-24)25(27,19(9-15)14-24)17-4-2-1-3-5-17/h1-7,10-11,15,18-20H,8-9,12-14,27H2