2-[(4-tert-butylphenyl)methyl]isoquinolin-1-one

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-1-one Openeye Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-1-one CAS Name: 2-[(4-tert-butylphenyl)methyl]-1-isoquinolinone IUPAC Name: 2-[(4-tert-butylphenyl)methyl]isoquinolin-1-one Traditional Name: 2-(4-tert-butylbenzyl)isocarbostyril Formula: C20H21NO MolecularWeight: 291.38684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21NO/c1-20(2,3)17-10-8-15(9-11-17)14-21-13-12-16-6-4-5-7-18(16)19(21)22/h4-13H,14H2,1-3H3