3-tert-butyl-2-methyl-4-phenyl-6-(5-phenylpentoxy)isoquinolin-1-one

Systemtic Name: 3-tert-butyl-2-methyl-4-phenyl-6-(5-phenylpentoxy)isoquinolin-1-one Openeye Name: 3-tert-butyl-2-methyl-4-phenyl-6-(5-phenylpentoxy)isoquinolin-1-one CAS Name: 3-tert-butyl-2-methyl-4-phenyl-6-(5-phenylpentoxy)-1-isoquinolinone IUPAC Name: 3-tert-butyl-2-methyl-4-phenyl-6-(5-phenylpentoxy)isoquinolin-1-one Traditional Name: 3-tert-butyl-2-methyl-4-phenyl-6-(5-phenylpentoxy)isocarbostyril Formula: C31H35NO2 MolecularWeight: 453.6151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C=CC(=C2)OCCCCCC3=CC=CC=C3)C(=O)N1C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C=CC(=C2)OCCCCCC3=CC=CC=C3)C(=O)N1C)C4=CC=CC=C4

InChI

InChI=1S/C31H35NO2/c1-31(2,3)29-28(24-17-11-6-12-18-24)27-22-25(19-20-26(27)30(33)32(29)4)34-21-13-7-10-16-23-14-8-5-9-15-23/h5-6,8-9,11-12,14-15,17-20,22H,7,10,13,16,21H2,1-4H3