5-[[1-[(4-tert-butylphenyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one

Systemtic Name: 5-[[1-[(4-tert-butylphenyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Openeye Name: 5-[[1-(4-tert-butylanilino)-4-isoquinolyl]methyl]-1H-pyridin-2-one CAS Name: 5-[[1-(4-tert-butylanilino)-4-isoquinolinyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[[1-(4-tert-butylanilino)isoquinolin-4-yl]methyl]-1H-pyridin-2-one Traditional Name: 5-[[1-(4-tert-butylanilino)-4-isoquinolyl]methyl]-2-pyridone Formula: C25H25N3O MolecularWeight: 383.4855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4

InChI

InChI=1S/C25H25N3O/c1-25(2,3)19-9-11-20(12-10-19)28-24-22-7-5-4-6-21(22)18(16-27-24)14-17-8-13-23(29)26-15-17/h4-13,15-16H,14H2,1-3H3,(H,26,29)(H,27,28)