N-[1,3-bis(oxidanylidene)-2-phenylmethoxy-4H-isoquinolin-7-yl]pentanamide

Systemtic Name: N-[1,3-bis(oxidanylidene)-2-phenylmethoxy-4H-isoquinolin-7-yl]pentanamide Openeye Name: N-(2-benzyloxy-1,3-dioxo-4H-isoquinolin-7-yl)pentanamide CAS Name: N-(1,3-dioxo-2-phenylmethoxy-4H-isoquinolin-7-yl)pentanamide IUPAC Name: N-(1,3-dioxo-2-phenylmethoxy-4H-isoquinolin-7-yl)pentanamide Traditional Name: N-(2-benzoxy-1,3-diketo-4H-isoquinolin-7-yl)valeramide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(CC(=O)N(C2=O)OCC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(CC(=O)N(C2=O)OCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H22N2O4/c1-2-3-9-19(24)22-17-11-10-16-12-20(25)23(21(26)18(16)13-17)27-14-15-7-5-4-6-8-15/h4-8,10-11,13H,2-3,9,12,14H2,1H3,(H,22,24)