5-chloranyl-2-[(4-methylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one

Systemtic Name: 5-chloranyl-2-[(4-methylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one Openeye Name: 5-chloro-3-(4-phenoxyphenyl)-2-(p-tolylmethyl)isoquinolin-1-one CAS Name: 5-chloro-2-[(4-methylphenyl)methyl]-3-(4-phenoxyphenyl)-1-isoquinolinone IUPAC Name: 5-chloro-2-[(4-methylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 5-chloro-2-(4-methylbenzyl)-3-(4-phenoxyphenyl)isocarbostyril Formula: C29H22ClNO2 MolecularWeight: 451.94348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C=CC=C3Cl)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC3=C(C2=O)C=CC=C3Cl)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H22ClNO2/c1-20-10-12-21(13-11-20)19-31-28(18-26-25(29(31)32)8-5-9-27(26)30)22-14-16-24(17-15-22)33-23-6-3-2-4-7-23/h2-18H,19H2,1H3