2-[(4-tert-butylphenyl)methyl]-7-chloranyl-isoquinolin-1-one

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-7-chloranyl-isoquinolin-1-one Openeye Name: 2-[(4-tert-butylphenyl)methyl]-7-chloro-isoquinolin-1-one CAS Name: 2-[(4-tert-butylphenyl)methyl]-7-chloro-1-isoquinolinone IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-7-chloroisoquinolin-1-one Traditional Name: 2-(4-tert-butylbenzyl)-7-chloro-isocarbostyril Formula: C20H20ClNO MolecularWeight: 325.8319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO/c1-20(2,3)16-7-4-14(5-8-16)13-22-11-10-15-6-9-17(21)12-18(15)19(22)23/h4-12H,13H2,1-3H3