N-(3-propoxyphenyl)-N'-[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]butanediamide

Systemtic Name: N-(3-propoxyphenyl)-N'-[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]butanediamide Openeye Name: N-(3-propoxyphenyl)-N'-(1,3,4-trioxo-6-isoquinolyl)butanediamide CAS Name: N-(3-propoxyphenyl)-N'-(1,3,4-trioxo-6-isoquinolinyl)butanediamide IUPAC Name: N-(3-propoxyphenyl)-N'-(1,3,4-trioxoisoquinolin-6-yl)butanediamide Traditional Name: N-(3-propoxyphenyl)-N'-(1,3,4-triketo-6-isoquinolyl)succinamide Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=O)CCC(=O)NC2=CC3=C(C=C2)C(=O)NC(=O)C3=O

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=O)CCC(=O)NC2=CC3=C(C=C2)C(=O)NC(=O)C3=O

InChI

InChI=1S/C22H21N3O6/c1-2-10-31-15-5-3-4-13(11-15)23-18(26)8-9-19(27)24-14-6-7-16-17(12-14)20(28)22(30)25-21(16)29/h3-7,11-12H,2,8-10H2,1H3,(H,23,26)(H,24,27)(H,25,29,30)