1-phenyl-2-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)ethanone

Systemtic Name: 1-phenyl-2-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)ethanone Openeye Name: 1-phenyl-2-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)ethanone CAS Name: 1-phenyl-2-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)ethanone IUPAC Name: 1-phenyl-2-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)ethanone Traditional Name: 1-phenyl-2-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)ethanone Formula: C21H23NO MolecularWeight: 305.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(N=C2CC(=O)C3=CC=CC=C3)(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CC(N=C2CC(=O)C3=CC=CC=C3)(C)C)C

InChI

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