3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-[3-(2-ketopyrrolidino)phenyl]propionamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O4/c26-19(23-16-6-3-7-17(14-16)24-11-4-9-20(24)27)10-12-25-21(28)13-15-5-1-2-8-18(15)22(25)29/h1-3,5-8,14H,4,9-13H2,(H,23,26)