2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(2-methylquinolin-4-yl)amino]-3H-isoindol-1-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(2-methylquinolin-4-yl)amino]-3H-isoindol-1-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(2-methyl-4-quinolyl)amino]isoindolin-1-one CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(2-methyl-4-quinolinyl)amino]-3H-isoindol-1-one IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(2-methylquinolin-4-yl)amino]-3H-isoindol-1-one Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(2-methyl-4-quinolyl)amino]isoindolin-1-one Formula: C29H28N4O MolecularWeight: 448.55882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC3=CC=CC4=C3CN(C4=O)CCN5CCC6=CC=CC=C6C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC3=CC=CC4=C3CN(C4=O)CCN5CCC6=CC=CC=C6C5

InChI

InChI=1S/C29H28N4O/c1-20-17-28(24-9-4-5-11-26(24)30-20)31-27-12-6-10-23-25(27)19-33(29(23)34)16-15-32-14-13-21-7-2-3-8-22(21)18-32/h2-12,17H,13-16,18-19H2,1H3,(H,30,31)