3-tert-butyl-6-methoxy-4-phenyl-isoquinoline

Systemtic Name: 3-tert-butyl-6-methoxy-4-phenyl-isoquinoline Openeye Name: 3-tert-butyl-6-methoxy-4-phenyl-isoquinoline CAS Name: 3-tert-butyl-6-methoxy-4-phenylisoquinoline IUPAC Name: 3-tert-butyl-6-methoxy-4-phenylisoquinoline Traditional Name: 3-tert-butyl-6-methoxy-4-phenyl-isoquinoline Formula: C20H21NO MolecularWeight: 291.38684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C2C=CC(=CC2=C1C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=NC=C2C=CC(=CC2=C1C3=CC=CC=C3)OC

InChI

InChI=1S/C20H21NO/c1-20(2,3)19-18(14-8-6-5-7-9-14)17-12-16(22-4)11-10-15(17)13-21-19/h5-13H,1-4H3