1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-1-one hydrochloride

Systemtic Name: 1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-1-one hydrochloride Openeye Name: 1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-1-one hydrochloride CAS Name: 1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-propanone hydrochloride IUPAC Name: 1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-1-one hydrochloride Traditional Name: 1-(1-adamantyl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-1-one hydrochloride Formula: C24H32ClNO MolecularWeight: 385.96998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)C34CC5CC(C3)CC(C5)C4.Cl

Isomeric SMILES

CC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)C34CC5CC(C3)CC(C5)C4.Cl

InChI

InChI=1S/C24H31NO.ClH/c1-15(21-20-7-5-4-6-19(20)14-23(2,3)25-21)22(26)24-11-16-8-17(12-24)10-18(9-16)13-24;/h4-7,15-18H,8-14H2,1-3H3;1H