5-iodanyl-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 5-iodanyl-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-5-iodo-isoquinolin-1-one CAS Name: 5-iodo-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-5-iodoisoquinolin-1-one Traditional Name: 2-benzyl-5-iodo-isocarbostyril Formula: C16H12INO MolecularWeight: 361.17705

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC=C3I

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC=C3I

InChI

InChI=1S/C16H12INO/c17-15-8-4-7-14-13(15)9-10-18(16(14)19)11-12-5-2-1-3-6-12/h1-10H,11H2