(4-pyrazol-1-ylphenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H17N3O4/c25-19-12-16-4-1-2-5-18(16)21(27)23(19)13-20(26)28-14-15-6-8-17(9-7-15)24-11-3-10-22-24/h1-11H,12-14H2