1-(1-adamantyl)-2-(7-azanyl-6-chloranyl-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone dihydrochloride

Systemtic Name: 1-(1-adamantyl)-2-(7-azanyl-6-chloranyl-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone dihydrochloride Openeye Name: 1-(1-adamantyl)-2-(7-amino-6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone dihydrochloride CAS Name: 1-(1-adamantyl)-2-(7-amino-6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone dihydrochloride IUPAC Name: 1-(1-adamantyl)-2-(7-amino-6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone dihydrochloride Traditional Name: 1-(1-adamantyl)-2-(7-amino-6-chloro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone dihydrochloride Formula: C23H31Cl3N2O MolecularWeight: 457.86404

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=N1)CC(=O)C34CC5CC(C3)CC(C5)C4)N)Cl)C.Cl.Cl

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=N1)CC(=O)C34CC5CC(C3)CC(C5)C4)N)Cl)C.Cl.Cl

InChI

InChI=1S/C23H29ClN2O.2ClH/c1-22(2)12-16-6-18(24)19(25)7-17(16)20(26-22)8-21(27)23-9-13-3-14(10-23)5-15(4-13)11-23;;/h6-7,13-15H,3-5,8-12,25H2,1-2H3;2*1H