1-(1-adamantyl)-2-(6-chloranyl-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone hydrochloride

Systemtic Name: 1-(1-adamantyl)-2-(6-chloranyl-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone hydrochloride Openeye Name: 1-(1-adamantyl)-2-(6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone hydrochloride CAS Name: 1-(1-adamantyl)-2-(6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone hydrochloride IUPAC Name: 1-(1-adamantyl)-2-(6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone hydrochloride Traditional Name: 1-(1-adamantyl)-2-(6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone hydrochloride Formula: C23H29Cl2NO MolecularWeight: 406.38846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Cl)C(=N1)CC(=O)C34CC5CC(C3)CC(C5)C4)C.Cl

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Cl)C(=N1)CC(=O)C34CC5CC(C3)CC(C5)C4)C.Cl

InChI

InChI=1S/C23H28ClNO.ClH/c1-22(2)13-17-8-18(24)3-4-19(17)20(25-22)9-21(26)23-10-14-5-15(11-23)7-16(6-14)12-23;/h3-4,8,14-16H,5-7,9-13H2,1-2H3;1H