7-chloranyl-3-(4-phenoxyphenyl)-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 7-chloranyl-3-(4-phenoxyphenyl)-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-7-chloro-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 7-chloro-3-(4-phenoxyphenyl)-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-7-chloro-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 2-benzyl-7-chloro-3-(4-phenoxyphenyl)isocarbostyril Formula: C28H20ClNO2 MolecularWeight: 437.9169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C=C(C=C3)Cl)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C=C(C=C3)Cl)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H20ClNO2/c29-23-14-11-22-17-27(21-12-15-25(16-13-21)32-24-9-5-2-6-10-24)30(28(31)26(22)18-23)19-20-7-3-1-4-8-20/h1-18H,19H2