3-tert-butyl-2-methyl-4-phenyl-6-(4-phenylbutoxy)isoquinolin-1-one

Systemtic Name: 3-tert-butyl-2-methyl-4-phenyl-6-(4-phenylbutoxy)isoquinolin-1-one Openeye Name: 3-tert-butyl-2-methyl-4-phenyl-6-(4-phenylbutoxy)isoquinolin-1-one CAS Name: 3-tert-butyl-2-methyl-4-phenyl-6-(4-phenylbutoxy)-1-isoquinolinone IUPAC Name: 3-tert-butyl-2-methyl-4-phenyl-6-(4-phenylbutoxy)isoquinolin-1-one Traditional Name: 3-tert-butyl-2-methyl-4-phenyl-6-(4-phenylbutoxy)isocarbostyril Formula: C30H33NO2 MolecularWeight: 439.58852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C=CC(=C2)OCCCCC3=CC=CC=C3)C(=O)N1C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C=CC(=C2)OCCCCC3=CC=CC=C3)C(=O)N1C)C4=CC=CC=C4

InChI

InChI=1S/C30H33NO2/c1-30(2,3)28-27(23-16-9-6-10-17-23)26-21-24(18-19-25(26)29(32)31(28)4)33-20-12-11-15-22-13-7-5-8-14-22/h5-10,13-14,16-19,21H,11-12,15,20H2,1-4H3