2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-phenyl-ethanamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-phenyl-ethanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-oxo-1-piperidyl)phenyl]-2-phenyl-acetamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-(2-oxo-1-piperidinyl)phenyl]-2-phenylacetamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-ketopiperidino)phenyl]-2-phenyl-acetamide Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C28H26N4O3/c29-27-24-18-23(14-9-19(24)15-16-30-27)35-26(20-6-2-1-3-7-20)28(34)31-21-10-12-22(13-11-21)32-17-5-4-8-25(32)33/h1-3,6-7,9-16,18,26H,4-5,8,17H2,(H2,29,30)(H,31,34)