2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-butan-1-one hydrochloride

Systemtic Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-butan-1-one hydrochloride Openeye Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-butan-1-one hydrochloride CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-1-butanone hydrochloride IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylbutan-1-one hydrochloride Traditional Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenyl-butan-1-one hydrochloride Formula: C21H24ClNO MolecularWeight: 341.87436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CCC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H23NO.ClH/c1-4-17(20(23)15-10-6-5-7-11-15)19-18-13-9-8-12-16(18)14-21(2,3)22-19;/h5-13,17H,4,14H2,1-3H3;1H