3-(1,3-benzodioxol-5-yl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[1-oxo-2-(3-pyridylmethyl)-5-isoquinolyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[1-oxo-2-(3-pyridinylmethyl)-5-isoquinolinyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[1-keto-2-(3-pyridylmethyl)-5-isoquinolyl]propionamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC4=C3C=CN(C4=O)CC5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC4=C3C=CN(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C25H21N3O4/c29-24(9-7-17-6-8-22-23(13-17)32-16-31-22)27-21-5-1-4-20-19(21)10-12-28(25(20)30)15-18-3-2-11-26-14-18/h1-6,8,10-14H,7,9,15-16H2,(H,27,29)