2-(4-phenyl-1,3-thiazol-2-yl)-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one

Systemtic Name: 2-(4-phenyl-1,3-thiazol-2-yl)-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Openeye Name: 2-(4-phenylthiazol-2-yl)-7-(4-pyridylmethylamino)isoindolin-1-one CAS Name: 2-(4-phenyl-2-thiazolyl)-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-(4-phenyl-1,3-thiazol-2-yl)-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Traditional Name: 2-(4-phenylthiazol-2-yl)-7-(4-pyridylmethylamino)isoindolin-1-one Formula: C23H18N4OS MolecularWeight: 398.48022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H18N4OS/c28-22-21-18(7-4-8-19(21)25-13-16-9-11-24-12-10-16)14-27(22)23-26-20(15-29-23)17-5-2-1-3-6-17/h1-12,15,25H,13-14H2