6-chloranyl-2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one

Systemtic Name: 6-chloranyl-2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one Openeye Name: 6-chloro-2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 6-chloro-2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)-1-isoquinolinone IUPAC Name: 6-chloro-2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 6-chloro-2-(2,4-dimethylbenzyl)-3-(4-phenoxyphenyl)isocarbostyril Formula: C30H24ClNO2 MolecularWeight: 465.97006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C=CC(=C3)Cl)C4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C=CC(=C3)Cl)C4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C30H24ClNO2/c1-20-8-9-23(21(2)16-20)19-32-29(18-24-17-25(31)12-15-28(24)30(32)33)22-10-13-27(14-11-22)34-26-6-4-3-5-7-26/h3-18H,19H2,1-2H3