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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[4-(cyanomethyl)phenyl]propanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-(1,3-diketo-4H-isoquinolin-2-yl)propionamide Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H17N3O3/c21-11-9-14-5-7-16(8-6-14)22-18(24)10-12-23-19(25)13-15-3-1-2-4-17(15)20(23)26/h1-8H,9-10,12-13H2,(H,22,24)