1-(1,3-benzodioxol-5-yl)-N-isoquinolin-5-yl-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-isoquinolin-5-yl-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(5-isoquinolyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(5-isoquinolinyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-isoquinolin-5-yl-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(5-isoquinolyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C21H17N3O4/c25-20-8-14(11-24(20)15-4-5-18-19(9-15)28-12-27-18)21(26)23-17-3-1-2-13-10-22-7-6-16(13)17/h1-7,9-10,14H,8,11-12H2,(H,23,26)