3-tert-butyl-8-chloranyl-4-phenyl-2H-isoquinolin-1-one

Systemtic Name: 3-tert-butyl-8-chloranyl-4-phenyl-2H-isoquinolin-1-one Openeye Name: 3-tert-butyl-8-chloro-4-phenyl-2H-isoquinolin-1-one CAS Name: 3-tert-butyl-8-chloro-4-phenyl-2H-isoquinolin-1-one IUPAC Name: 3-tert-butyl-8-chloro-4-phenyl-2H-isoquinolin-1-one Traditional Name: 3-tert-butyl-8-chloro-4-phenyl-isocarbostyril Formula: C19H18ClNO MolecularWeight: 311.80532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C(=CC=C2)Cl)C(=O)N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C(=CC=C2)Cl)C(=O)N1)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClNO/c1-19(2,3)17-15(12-8-5-4-6-9-12)13-10-7-11-14(20)16(13)18(22)21-17/h4-11H,1-3H3,(H,21,22)