N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-piperonyl-propionamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O5/c26-20(24-12-15-5-6-18-19(11-15)30-14-29-18)7-9-23-21(27)13-25-10-8-16-3-1-2-4-17(16)22(25)28/h1-6,8,10-11H,7,9,12-14H2,(H,23,27)(H,24,26)