(1S)-1-phenyl-1-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)propan-2-one

Systemtic Name: (1S)-1-phenyl-1-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)propan-2-one Openeye Name: (1S)-1-phenyl-1-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)propan-2-one CAS Name: (1S)-1-phenyl-1-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)-2-propanone IUPAC Name: (1S)-1-phenyl-1-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)propan-2-one Traditional Name: (1S)-1-phenyl-1-(3,3,6,7-tetramethyl-4H-isoquinolin-1-yl)acetone Formula: C22H25NO MolecularWeight: 319.44

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C2C(=C1)CC(N=C2[C@H](C3=CC=CC=C3)C(=O)C)(C)C)C

InChI

InChI=1S/C22H25NO/c1-14-11-18-13-22(4,5)23-21(19(18)12-15(14)2)20(16(3)24)17-9-7-6-8-10-17/h6-12,20H,13H2,1-5H3/t20-/m0/s1