8-[2,5-dihexyl-4-(4-methoxyphenyl)phenyl]-2H-isoquinolin-3-one

Systemtic Name: 8-[2,5-dihexyl-4-(4-methoxyphenyl)phenyl]-2H-isoquinolin-3-one Openeye Name: 8-[2,5-dihexyl-4-(4-methoxyphenyl)phenyl]-2H-isoquinolin-3-one CAS Name: 8-[2,5-dihexyl-4-(4-methoxyphenyl)phenyl]-2H-isoquinolin-3-one IUPAC Name: 8-[2,5-dihexyl-4-(4-methoxyphenyl)phenyl]-2H-isoquinolin-3-one Traditional Name: 8-[2,5-dihexyl-4-(4-methoxyphenyl)phenyl]-3-isoquinolone Formula: C34H41NO2 MolecularWeight: 495.69484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)OC)CCCCCC)C3=CC=CC4=CC(=O)NC=C43

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)OC)CCCCCC)C3=CC=CC4=CC(=O)NC=C43

InChI

InChI=1S/C34H41NO2/c1-4-6-8-10-13-26-22-32(30-16-12-15-28-23-34(36)35-24-33(28)30)27(14-11-9-7-5-2)21-31(26)25-17-19-29(37-3)20-18-25/h12,15-24H,4-11,13-14H2,1-3H3,(H,35,36)