2-[4-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-yl-ethanamide

Systemtic Name: 2-[4-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-yl-ethanamide Openeye Name: 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(3-isoquinolyl)acetamide CAS Name: 2-[4-[[2-[1-azetidinyl(oxo)methyl]-7-thieno[3,2-b]pyridinyl]oxy]phenyl]-N-(3-isoquinolinyl)acetamide IUPAC Name: 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-ylacetamide Traditional Name: 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(3-isoquinolyl)acetamide Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)C2=CC3=NC=CC(=C3S2)OC4=CC=C(C=C4)CC(=O)NC5=CC6=CC=CC=C6C=N5

Isomeric SMILES

C1CN(C1)C(=O)C2=CC3=NC=CC(=C3S2)OC4=CC=C(C=C4)CC(=O)NC5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C28H22N4O3S/c33-26(31-25-15-19-4-1-2-5-20(19)17-30-25)14-18-6-8-21(9-7-18)35-23-10-11-29-22-16-24(36-27(22)23)28(34)32-12-3-13-32/h1-2,4-11,15-17H,3,12-14H2,(H,30,31,33)