2-[(2,4-dimethylphenyl)methyl]-7-methyl-3-phenyl-isoquinolin-1-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-7-methyl-3-phenyl-isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-7-methyl-3-phenyl-isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-7-methyl-3-phenyl-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-7-methyl-3-phenylisoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-7-methyl-3-phenyl-isocarbostyril Formula: C25H23NO MolecularWeight: 353.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C=C(C=C3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C=C(C=C3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23NO/c1-17-10-12-22(19(3)13-17)16-26-24(20-7-5-4-6-8-20)15-21-11-9-18(2)14-23(21)25(26)27/h4-15H,16H2,1-3H3