N-[4-(5-oxidanyl-1-oxidanylidene-2H-isoquinolin-4-yl)phenyl]-3-pyrrolidin-1-yl-propanamide

Systemtic Name: N-[4-(5-oxidanyl-1-oxidanylidene-2H-isoquinolin-4-yl)phenyl]-3-pyrrolidin-1-yl-propanamide Openeye Name: N-[4-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)phenyl]-3-pyrrolidin-1-yl-propanamide CAS Name: N-[4-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)phenyl]-3-(1-pyrrolidinyl)propanamide IUPAC Name: N-[4-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)phenyl]-3-pyrrolidin-1-ylpropanamide Traditional Name: N-[4-(5-hydroxy-1-keto-2H-isoquinolin-4-yl)phenyl]-3-pyrrolidino-propionamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(=O)NC2=CC=C(C=C2)C3=CNC(=O)C4=C3C(=CC=C4)O

Isomeric SMILES

C1CCN(C1)CCC(=O)NC2=CC=C(C=C2)C3=CNC(=O)C4=C3C(=CC=C4)O

InChI

InChI=1S/C22H23N3O3/c26-19-5-3-4-17-21(19)18(14-23-22(17)28)15-6-8-16(9-7-15)24-20(27)10-13-25-11-1-2-12-25/h3-9,14,26H,1-2,10-13H2,(H,23,28)(H,24,27)